MGB-BP-3 - Moligand™, ≥98% , DNA binding agent, CAS No.1000277-08-6, DNA binding agent

CAS: 1000277-08-6 Cat. No.: M611854 Molecular Weight: 631.72 PubChem CID: 23730143
AVAILABLE TO ORDER
GRADE & PURITY Moligand™ ? Moligand™ — Aladdin's line of ligands and bioactive small molecules. Use for receptor, pathway, and binding studies needing defined small-molecule tools. ≥98%
Synonyms
MS-30864 | GTPL10996 | UNII-532PWU9738 | SCHEMBL2398755 | J2.725.402K | 1H-Pyrrole-2-carboxamide, 1-methyl-N-(1-methyl-5-(((2-(4-morpholinyl)ethyl)amino)carbonyl)-1H-pyrrol-3-yl)-4-((4-((1E)-2-(3-quinolinyl)ethenyl)benzoyl)amino)- | Q27261055 | 4-((4-(4-(
Storage
Store at -20°C
Shipped In
Ice chest + Ice pads
 ·  off list, applied to all prices below.
Size
Status
Price
Qty
1mg
M611854-1mg
8-12 wks(?) Production requires sourcing of materials. We appreciate your patience and understanding.
$87.90
5mg
M611854-5mg
8-12 wks(?) Production requires sourcing of materials. We appreciate your patience and understanding.
$259.90
10mg
M611854-10mg
8-12 wks(?) Production requires sourcing of materials. We appreciate your patience and understanding.
$459.90
25mg
M611854-25mg
8-12 wks(?) Production requires sourcing of materials. We appreciate your patience and understanding.
$999.90
Enter a quantity for the sizes you want to add.
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Why this grade

Moligand™, ≥98% Moligand™ for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

🌡

Storage & shipping

Store at -20°C Ships Ice chest + Ice pads Check lot-specific COA for exact specifications.

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Quality documents

SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.

📚

Literature proof

Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.

Overview

MGB-BP-3 is an antibiotic that has been shown to be active against a broad range of important multi-resistant Gram-positive pathogens.

Specifications

Synonyms
MS-30864 | GTPL10996 | UNII-532PWU9738 | SCHEMBL2398755 | J2.725.402K | 1H-Pyrrole-2-carboxamide, 1-methyl-N-(1-methyl-5-(((2-(4-morpholinyl)ethyl)amino)carbonyl)-1H-pyrrol-3-yl)-4-((4-((1E)-2-(3-quinolinyl)ethenyl)benzoyl)amino)- | Q27261055 | 4-((4-(4-(
Specifications & Purity
Moligand™, ≥98%
Storage
Store at -20°C
Shipped In
Ice chest + Ice pads
This product requires cold chain shipping. Ground and other economy services are not available.
Grade
Moligand™
Action Type
BINDING AGENT
Mechanism of action
DNA binding agent
Purity
≥98%
Product Properties
ALogP3.2
Names and Identifiers
Canonical SmilesCN1C=C(C=C1C(=O)NC2=CN(C(=C2)C(=O)NCCN3CCOCC3)C)NC(=O)C4=CC=C(C=C4)C=CC5=CC6=CC=CC=C6N=C5
IUPAC Name1-methyl-N-[1-methyl-5-(2-morpholin-4-ylethylcarbamoyl)pyrrol-3-yl]-4-[[4-[(E)-2-quinolin-3-ylethenyl]benzoyl]amino]pyrrole-2-carboxamide
InChIKeyOEKXCVYZBVOWBR-BQYQJAHWSA-N
INCHI1S/C36H37N7O4/c1-41-24-30(20-32(41)35(45)37-13-14-43-15-17-47-18-16-43)40-36(46)33-21-29(23-42(33)2)39-34(44)27-11-9-25(10-12-27)7-8-26-19-28-5-3-4-6-31(28)38-22-26/h3-12,19-24H,13-18H2,1-2H3,(H,37,45)(H,39,44)(H,40,46)/b8-7+
Isomeric SMILES CN1C=C(C=C1C(=O)NC2=CN(C(=C2)C(=O)NCCN3CCOCC3)C)NC(=O)C4=CC=C(C=C4)/C=C/C5=CC6=CC=CC=C6N=C5
Alternate CAS 1000277-08-6
PubChem CID 23730143
MeSH Entry Terms 1h-pyrrole-2-carboxamide, 1-methyl-n-(1-methyl-5-(((2-(4-morpholinyl)ethyl)amino)carbonyl)-1h-pyrrol-3-yl)-4-((4-((1e)-2-(3-quinolinyl)ethenyl)benzoyl)amino)-;MGB-BP-3;MGB-BP3
Molecular Weight 631.72

Documentation

📋 Safety Data Sheet (SDS)

Comprehensive hazard, handling, storage, and regulatory compliance document.

Download SDS →

✅ Certificate of Analysis (COA)

Lot-specific quality data. Enter your lot number to retrieve the exact COA.

Look up COA →

📊 Datasheet

Quick-reference summary of product specifications and applications.

View datasheet →

🔬 Specification Sheet

Full quality attributes and acceptance criteria for this grade.

View spec sheet →

Advanced Data

Taxonomic Classification

Taxonomy Tree

KingdomOrganic compounds
SuperclassOrganoheterocyclic compounds
ClassQuinolines and derivatives
SubclassNot available
Intermediate Tree Nodes Not available
Direct ParentQuinolines and derivatives
Alternative Parents Benzamides  2-heteroaryl carboxamides  Styrenes  Pyrrole carboxamides  Benzoyl derivatives  Pyridines and derivatives  Morpholines  N-methylpyrroles  Heteroaromatic compounds  Amino acids and derivatives  Trialkylamines  Secondary carboxylic acid amides  Dialkyl ethers  Azacyclic compounds  Oxacyclic compounds  Hydrocarbon derivatives  Organic oxides  
Molecular FrameworkAromatic heteropolycyclic compounds
Substituents Quinoline - Benzamide - Benzoic acid or derivatives - Pyrrole-2-carboxylic acid or derivatives - 2-heteroaryl carboxamide - Pyrrole-2-carboxamide - Styrene - Benzoyl - Benzenoid - Oxazinane - Pyridine - Substituted pyrrole - N-methylpyrrole - Morpholine - Monocyclic benzene moiety - Heteroaromatic compound - Pyrrole - Amino acid or derivatives - Carboxamide group - Tertiary aliphatic amine - Tertiary amine - Secondary carboxylic acid amide - Azacycle - Oxacycle - Ether - Dialkyl ether - Carboxylic acid derivative - Amine - Hydrocarbon derivative - Organic oxide - Organonitrogen compound - Organooxygen compound - Organic nitrogen compound - Organic oxygen compound - Aromatic heteropolycyclic compound
DescriptionThis compound belongs to the class of organic compounds known as quinolines and derivatives. These are compounds containing a quinoline moiety, which consists of a benzene ring fused to a pyrimidine ring to form benzo[b]azabenzene.
External Descriptors Not available
3D Structure
Interactive Chemical Structure Model





Associated Targets(Human)
KCNH2 Tclin HERG (29587 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
HEK293 (82097 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
HS27 (243 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
DNA (187 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Associated Targets(non-human)
Pseudomonas aeruginosa (123386 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Klebsiella pneumoniae (43867 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Staphylococcus aureus (210822 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Acinetobacter baumannii (41033 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Escherichia coli (133304 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Aspergillus niger (16508 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Clostridioides difficile (2968 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Mycolicibacterium fortuitum (1335 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Enterococcus faecalis (29875 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Trypanosoma brucei brucei (13300 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Cryptococcus neoformans (21258 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Candida albicans (78123 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
L929 (3802 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Mechanisms of Action
Certificates(CoA,COO,BSE/TSE and Analysis Chart)
C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:
Chemical and Physical Properties
Molecular Weight631.700 g/mol
XLogP33.200
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count6
Rotatable Bond Count10
Exact Mass631.291 Da
Monoisotopic Mass631.291 Da
Topological Polar Surface Area123.000 Ų
Heavy Atom Count47
Formal Charge0
Complexity1090.000
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
The total count of all stereochemical bonds1
Covalently-Bonded Unit Count1
Solution Calculators
Reviews

Customer Reviews

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