BI-4464 - 10mM in DMSO , CAS No.1227948-02-8

CAS: 1227948-02-8 Cat. No.: B420979 Molecular Weight: 555.55
AVAILABLE TO ORDER
GRADE & PURITY 10mM in DMSO
Synonyms
Benzamide,4-​[[4-​[(2,​3-​dihydro-​3-​oxo-​1H-​inden-​4-​yl)​oxy]​-​5-​(trifluoromethyl)​-​2-​pyrimidinyl]​amino]​-​3-​methoxy-​N-​(1-​methyl-​4-​piperidinyl)​-
Storage
Store at -80°C
Shipped In
Dry ice packs + Cold packs
 ·  off list, applied to all prices below.
Size
Status
Price
Qty
1ml
B420979-1ml
1

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Why this grade

10mM in DMSO for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

🌡

Storage & shipping

Store at -80°C Ships Dry ice packs + Cold packs Check lot-specific COA for exact specifications.

📋

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

Information

BI-4464 is a highly selective ATP competitive inhibitor of PTK2/FAK , with an IC50 of 17 nM.

Targets

PTK2/FAK (Cell-free assay) 17 nM

Specifications

Synonyms
Benzamide, 4-​[[4-​[(2, ​3-​dihydro-​3-​oxo-​1H-​inden-​4-​yl)​oxy]​-​5-​(trifluoromethyl)​-​2-​pyrimidinyl]​amino]​-​3-​methoxy-​N-​(1-​methyl-​4-​piperidinyl)​-
Specifications & Purity
10mM in DMSO
Biochemical and Physiological Mechanisms
BI-4464 is a highly selective ATP competitive inhibitor of PTK2/FAK, with an IC50 of 17 nM.
Storage
Store at -80°C
Shipped In
Dry ice packs + Cold packs
This product requires cold chain shipping. Ground and other economy services are not available.
Product Properties
ALogP4.531
hba_count6
HBD Count2
Rotatable Bond8
Names and Identifiers
Canonical SmilesCN1CCC(CC1)NC(=O)C2=CC(=C(C=C2)NC3=NC=C(C(=N3)OC4=CC=CC5=C4C(=O)CC5)C(F)(F)F)OC
IUPAC Name3-methoxy-N-(1-methylpiperidin-4-yl)-4-[[4-[(3-oxo-1,2-dihydroinden-4-yl)oxy]-5-(trifluoromethyl)pyrimidin-2-yl]amino]benzamide
InChIKeyQUSSZSMDFABHLI-UHFFFAOYSA-N
INCHI1S/C28H28F3N5O4/c1-36-12-10-18(11-13-36)33-25(38)17-6-8-20(23(14-17)39-2)34-27-32-15-19(28(29,30)31)26(35-27)40-22-5-3-4-16-7-9-21(37)24(16)22/h3-6,8,14-15,18H,7,9-13H2,1-2H3,(H,33,38)(H,32,34,35)
Isomeric SMILES CN1CCC(CC1)NC(=O)C2=CC(=C(C=C2)NC3=NC=C(C(=N3)OC4=CC=CC5=C4C(=O)CC5)C(F)(F)F)OC
Molecular Weight 555.55
Reaxy-Rn 20458328
Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=20458328&ln=

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
SuperclassOrganic oxygen compounds
ClassOrganooxygen compounds
SubclassEthers
Intermediate Tree Nodes Not available
Direct ParentDiarylethers
Alternative Parents Indanones  Benzamides  Methoxyanilines  Anisoles  Aryl alkyl ketones  Benzoyl derivatives  Methoxybenzenes  Phenoxy compounds  Aminopyrimidines and derivatives  Alkyl aryl ethers  Piperidines  Heteroaromatic compounds  Secondary carboxylic acid amides  Trialkylamines  Amino acids and derivatives  Secondary amines  Azacyclic compounds  Hydrocarbon derivatives  Organic oxides  Alkyl fluorides  Organofluorides  
Molecular FrameworkAromatic heteropolycyclic compounds
Substituents Diaryl ether - Indanone - Benzamide - Benzoic acid or derivatives - Indane - Methoxyaniline - Anisole - Phenoxy compound - Benzoyl - Phenol ether - Aryl ketone - Aryl alkyl ketone - Aniline or substituted anilines - Methoxybenzene - Alkyl aryl ether - Aminopyrimidine - Pyrimidine - Piperidine - Benzenoid - Monocyclic benzene moiety - Heteroaromatic compound - Tertiary amine - Secondary carboxylic acid amide - Amino acid or derivatives - Tertiary aliphatic amine - Ketone - Carboxamide group - Azacycle - Secondary amine - Organoheterocyclic compound - Carboxylic acid derivative - Hydrocarbon derivative - Organic nitrogen compound - Organohalogen compound - Organofluoride - Organonitrogen compound - Amine - Alkyl fluoride - Alkyl halide - Organic oxide - Aromatic heteropolycyclic compound
DescriptionThis compound belongs to the class of organic compounds known as diarylethers. These are organic compounds containing the dialkyl ether functional group, with the formula ROR', where R and R' are aryl groups.
External Descriptors Not available
3D Structure
Interactive Chemical Structure Model





Associated Targets(Human)
PTK2 Tclin Focal adhesion kinase 1 (3 Activities)
Activity TypeActivity Value -log(M)Mechanism of ActionActivity ReferencePublications (PubMed IDs)
PTK2 Tclin Focal adhesion kinase 1 (4730 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
HuCCT-1 (128 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Huh-7 (12904 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
SK-HEP1 (1155 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
SNU-398 (481 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
HepG2 (196354 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
HLE (117 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
SNU-387 (161 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
DMSO(mg / mL) Max Solubility25
DMSO(mM) Max Solubility45.0004500045001
Water(mg / mL) Max Solubility<1
Molecular Weight555.500 g/mol
XLogP34.400
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count11
Rotatable Bond Count7
Exact Mass555.209 Da
Monoisotopic Mass555.209 Da
Topological Polar Surface Area106.000 Ų
Heavy Atom Count40
Formal Charge0
Complexity886.000
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
The total count of all stereochemical bonds0
Covalently-Bonded Unit Count1
Solution Calculators
Reviews

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