G431-0277 Screening compound: N-({1-[(2-chlorophenyl)methyl]piperidin-4-yl}methyl)-2-(furan-2-yl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine

G431-0277 Screening compound: N-({1-[(2-chlorophenyl)methyl]piperidin-4-yl}methyl)-2-(furan-2-yl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
G431-0277 Screening compound: N-({1-[(2-chlorophenyl)methyl]piperidin-4-yl}methyl)-2-(furan-2-yl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine alternative view

Chemical Structure Depiction of ChemDiv screening compound G431-0277
N-({1-[(2-chlorophenyl)methyl]piperidin-4-yl}methyl)-2-(furan-2-yl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine

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

G431-0277

Molecular Formula

C23H25ClN6O (C23 H25 ClN6 O)

Compound Name

N-({1-[(2-chlorophenyl)methyl]piperidin-4-yl}methyl)-2-(furan-2-yl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine

IUPAC name

N-({1-[(2-chlorophenyl)methyl]piperidin-4-yl}methyl)-2-(furan-2-yl)-5-methyl-[124]triazolo[15-a]pyrimidin-7-amine

SMILES

Cc1nc2nc(-c3ccco3)nn2c(NCC2CCN(Cc(cccc3)c3Cl)CC2)c1

InChI

InChI=1S/C23H25ClN6O/c1-16-13-21(30-23(26-16)27-22(28-30)20-7-4-12-31-20)25-14-17-8-10-29(11-9-17)15-18-5-2-3-6-19(18)24/h2-7,12-13,17,25H,8-11,14-15H2,1H3

InChI Key

BSILYCOPLKAASE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15013733

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

436.94

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.150

Distribution Coefficient, logD

2.555

Water Solubility, LogSw

-4.29

Polar Surface Area

53.473

Acid Dissociation Constant (pKa)

17.17

Base Dissociation Constant (pKb)

8.98

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

34.80

G431-0277 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

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

C-Met Library (15277 compounds)

GPCR Targeted Library (31838 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Endocrine
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
Targets:
  • Kinases
  • GPCR
Mechanism of action:
  • Receptor's ligands
  • Receptor's ligands
Agro:
  • Agro

References: we are preparing a list of scientific research reports with G431-0277 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G431-0277?
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What is the minimum amount of G431-0277 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G431-0277
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G431-0277
  • 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 G431-0277 available by request