G922-0884 Screening compound: 2-{[(2,5-dimethylphenyl)methyl]sulfanyl}-5-methyl-N-(2-methylphenyl)-7-(thiophen-2-yl)-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide

G922-0884 Screening compound: 2-{[(2,5-dimethylphenyl)methyl]sulfanyl}-5-methyl-N-(2-methylphenyl)-7-(thiophen-2-yl)-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
G922-0884 Screening compound: 2-{[(2,5-dimethylphenyl)methyl]sulfanyl}-5-methyl-N-(2-methylphenyl)-7-(thiophen-2-yl)-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G922-0884
2-{[(2,5-dimethylphenyl)methyl]sulfanyl}-5-methyl-N-(2-methylphenyl)-7-(thiophen-2-yl)-4H,7H-[1,2,4]triazolo[1,5-a]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

G922-0884

Molecular Formula

C27H27N5OS2 (C27 H27 N5 OS2)

Compound Name

2-{[(2,5-dimethylphenyl)methyl]sulfanyl}-5-methyl-N-(2-methylphenyl)-7-(thiophen-2-yl)-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide

IUPAC name

2-{[(25-dimethylphenyl)methyl]sulfanyl}-5-methyl-N-(2-methylphenyl)-7-(thiophen-2-yl)-4H7H-[124]triazolo[15-a]pyrimidine-6-carboxamide

SMILES

Cc1cc(CSc2nn(C(c3cccs3)C(C(Nc3c(C)cccc3)=O)=C(C)N3)c3n2)c(C)cc1

InChI

InChI=1S/C27H27N5OS2/c1-16-11-12-17(2)20(14-16)15-35-27-30-26-28-19(4)23(24(32(26)31-27)22-10-7-13-34-22)25(33)29-21-9-6-5-8-18(21)3/h5-14,24H,15H2,1-4H3,(H,29,33)(H,28,30,31)/t24-/m0/s1

InChI Key

HEPJEQUDGZHRTH-DEOSSOPVSA-N

MDL Number (MFCD)

MFCD15075209

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

501.68

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

6.409

Distribution Coefficient, logD

6.409

Water Solubility, LogSw

-5.49

Polar Surface Area

58.911

Acid Dissociation Constant (pKa)

10.18

Base Dissociation Constant (pKb)

2.81

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

22.20

G922-0884 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

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

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D

References: we are preparing a list of scientific research reports with G922-0884 chemical compound. It will be published here after verification.

Frequently Asked Questions

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What is the minimum amount of G922-0884 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G922-0884
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G922-0884
  • 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 G922-0884 available by request