G895-1062 Screening compound: 2,5-dimethyl-N-[(3-methylphenyl)methyl]-4-(piperidin-1-yl)thieno[2,3-d]pyrimidine-6-carboxamide

G895-1062 Screening compound: 2,5-dimethyl-N-[(3-methylphenyl)methyl]-4-(piperidin-1-yl)thieno[2,3-d]pyrimidine-6-carboxamide
G895-1062 Screening compound: 2,5-dimethyl-N-[(3-methylphenyl)methyl]-4-(piperidin-1-yl)thieno[2,3-d]pyrimidine-6-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G895-1062
2,5-dimethyl-N-[(3-methylphenyl)methyl]-4-(piperidin-1-yl)thieno[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

G895-1062

Molecular Formula

C22H26N4OS (C22 H26 N4 OS)

Compound Name

2,5-dimethyl-N-[(3-methylphenyl)methyl]-4-(piperidin-1-yl)thieno[2,3-d]pyrimidine-6-carboxamide

IUPAC name

25-dimethyl-N-[(3-methylphenyl)methyl]-4-(piperidin-1-yl)thieno[23-d]pyrimidine-6-carboxamide

SMILES

Cc1c(C(NCc2cc(C)ccc2)=O)sc2nc(C)nc(N3CCCCC3)c12

InChI

InChI=1S/C22H26N4OS/c1-14-8-7-9-17(12-14)13-23-21(27)19-15(2)18-20(26-10-5-4-6-11-26)24-16(3)25-22(18)28-19/h7-9,12H,4-6,10-11,13H2,1-3H3,(H,23,27)

InChI Key

MRLIMFSBVQJYAC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15074148

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

394.54

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.309

Distribution Coefficient, logD

4.883

Water Solubility, LogSw

-5.32

Polar Surface Area

47.326

Acid Dissociation Constant (pKa)

11.16

Base Dissociation Constant (pKb)

7.62

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

40.90

G895-1062 in Drug Discovery

Included in Screening Libraries

Protein-Protein Interaction Library (218420 compounds)

Chemokine Receptor-Targeted Library (18382 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with G895-1062 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G895-1062?
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What is the minimum amount of G895-1062 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G895-1062
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G895-1062
  • 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 G895-1062 available by request