G895-0731 Screening compound: 4-[cyclohexyl(methyl)amino]-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-5-methylthieno[2,3-d]pyrimidine-6-carboxamide

G895-0731 Screening compound: 4-[cyclohexyl(methyl)amino]-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-5-methylthieno[2,3-d]pyrimidine-6-carboxamide
G895-0731 Screening compound: 4-[cyclohexyl(methyl)amino]-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-5-methylthieno[2,3-d]pyrimidine-6-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G895-0731
4-[cyclohexyl(methyl)amino]-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-5-methylthieno[2,3-d]pyrimidine-6-carboxamide

Available from 1 mg

Formats:

  • Glass Vials (4ml Glass Vials VWR #97047-678)
  • 96-tube racks (Matrix #4247 96-well 1.4ml sealed with capmats, empty cols 1 & 12, 100uL of 10mM)

Shiptime: 1 week worldwide delivery in most cases

Compound Identifiers

ChemDiv Compound ID

G895-0731

Molecular Formula

C26H31N5O2S (C26 H31 N5 O2 S)

Compound Name

4-[cyclohexyl(methyl)amino]-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-5-methylthieno[2,3-d]pyrimidine-6-carboxamide

IUPAC name

4-[cyclohexyl(methyl)amino]-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-5-methylthieno[23-d]pyrimidine-6-carboxamide

SMILES

Cc1c(C(NCCc2c[nH]c(cc3)c2cc3OC)=O)sc2ncnc(N(C)C3CCCCC3)c12

InChI

InChI=1S/C26H31N5O2S/c1-16-22-24(31(2)18-7-5-4-6-8-18)29-15-30-26(22)34-23(16)25(32)27-12-11-17-14-28-21-10-9-19(33-3)13-20(17)21/h9-10,13-15,18,28H,4-8,11-12H2,1-3H3,(H,27,32)

InChI Key

BHWNVJROWANWTG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15074045

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

477.63

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.163

Distribution Coefficient, logD

5.140

Water Solubility, LogSw

-5.21

Polar Surface Area

64.762

Acid Dissociation Constant (pKa)

12.46

Base Dissociation Constant (pKb)

6.13

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

42.30

G895-0731 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

CORONAVIRUS Library (20774 compounds)

PLpro Library (6343 compounds)

Protein-Protein Interaction Library (218420 compounds)

Chemokine Receptor-Targeted Library (18382 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Antiviral
  • Infections
  • Immune system
  • Immune system
Mechanism of action:
  • PPI modulators
  • Receptor's ligands

References: we are preparing a list of scientific research reports with G895-0731 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G895-0731?
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What is the minimum amount of G895-0731 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G895-0731
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G895-0731
  • 0.5–50 mg of dry powder sample in single glass vials, custom vials
  • DMSO solutions frozen 10μl–250μl@10mM (96 and 384 format)

Custom synthesis of G895-0731 available by request