R-10015 - ≥96% , CAS No.2097938-51-5

CAS: 2097938-51-5 Cat. No.: R413653 Formula: C₂₀H₁₉ClN₆O₂ Molecular Weight: 410.86 PubChem CID: 129896912

GRADE & PURITY ≥96%

Synonyms

1H-​Benzimidazole-​6-​carboxylic acid,2-​[1-​(5-​chloro-​7H-​pyrrolo[2,​3-​d]​pyrimidin-​4-​yl)​-​4-​piperidinyl]​-​,methyl ester

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Overview

Information

R-10015 R-10015 is a potent, selective inhibitor of LIM domain kinase (LIMK) with IC50 of 38 nM for human LIMK1. R-10015 binds to the ATP-binding pocket and acts as a broad-spectrum antiviral compound for HIV infection.

Targets

hLIMK1 (Cell-free assay) 38 nM

Specifications

Synonyms

1H-​Benzimidazole-​6-​carboxylic acid,2-​[1-​(5-​chloro-​7H-​pyrrolo[2,​3-​d]​pyrimidin-​4-​yl)​-​4-​piperidinyl]​-​,methyl ester

Specifications & Purity

≥96%

Biochemical and Physiological Mechanisms

R-10015 is a potent, selective inhibitor of LIM domain kinase (LIMK) with IC50 of 38 nM for human LIMK1. R-10015 binds to the ATP-binding pocket and acts as a broad-spectrum antiviral compound for HIV infection.

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.

Purity

≥96%

Product Properties

alogp

3.677

hbd_count

2

rotatable_bond

4

Names and Identifiers

Pubchem Sid

504773065

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504773065

Canonical Smiles

COC(=O)C1=CC2=C(C=C1)N=C(N2)C3CCN(CC3)C4=NC=NC5=C4C(=CN5)Cl

IUPAC Name

methyl 2-[1-(5-chloro-7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-4-yl]-3H-benzimidazole-5-carboxylate

InChIKey

MGRJCGXCUUCOQG-UHFFFAOYSA-N

INCHI

1S/C20H19ClN6O2/c1-29-20(28)12-2-3-14-15(8-12)26-17(25-14)11-4-6-27(7-5-11)19-16-13(21)9-22-18(16)23-10-24-19/h2-3,8-11H,4-7H2,1H3,(H,25,26)(H,22,23,24)

PubChem CID

129896912

Molecular Weight

410.86

Chemical and Physical Properties

• Solubility: Solubility (25°C) In vitro DMSO: 82 mg/mL (199.58 mM); Ethanol: 10 mg/mL (24.33 mM); Water: ˂1 mg/mL
• dmso_mg_max_solubility: 82
• dmso_mM_max_solubility: 199.581365915397
• water_mg_max_solubility: ˂1
• Molecular Weight: 410.900 g/mol
• XLogP3: 3.400
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 4
• Exact Mass: 410.126 Da
• Monoisotopic Mass: 410.126 Da
• Topological Polar Surface Area: 99.800 Ų
• Heavy Atom Count: 29
• Formal Charge: 0
• Complexity: 604.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1

Frequently Asked Questions

What is the purity of this product?

This product is supplied at ≥96% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at ?20 °C. Freezer storage is required to maintain the specified shelf life.

How is this product shipped?

This product ships in an insulated container with ice pads. Unpack on arrival and transfer it to the storage condition stated above.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 2097938-51-5, the molecular formula is C20H19ClN6O2, and the molecular weight is 410.86 g/mol. InChIKey MGRJCGXCUUCOQG-UHFFFAOYSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.