C202-1308 Screening compound: 2-{[(2-chlorophenyl)methyl]sulfanyl}-N-(2,4-dimethylphenyl)-5-methyl-7-(thiophen-2-yl)-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide

C202-1308 Screening compound: 2-{[(2-chlorophenyl)methyl]sulfanyl}-N-(2,4-dimethylphenyl)-5-methyl-7-(thiophen-2-yl)-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
C202-1308 Screening compound: 2-{[(2-chlorophenyl)methyl]sulfanyl}-N-(2,4-dimethylphenyl)-5-methyl-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 C202-1308
2-{[(2-chlorophenyl)methyl]sulfanyl}-N-(2,4-dimethylphenyl)-5-methyl-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

C202-1308

Molecular Formula

C26H24ClN5OS2 (C26 H24 ClN5 OS2)

Compound Name

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

IUPAC name

2-{[(2-chlorophenyl)methyl]sulfanyl}-N-(24-dimethylphenyl)-5-methyl-7-(thiophen-2-yl)-4H7H-[124]triazolo[15-a]pyrimidine-6-carboxamide

SMILES

Cc(cc1)cc(C)c1NC(C1=C(C)Nc2nc(SCc(cccc3)c3Cl)nn2C1c1cccs1)=O

InChI

InChI=1S/C26H24ClN5OS2/c1-15-10-11-20(16(2)13-15)29-24(33)22-17(3)28-25-30-26(35-14-18-7-4-5-8-19(18)27)31-32(25)23(22)21-9-6-12-34-21/h4-13,23H,14H2,1-3H3,(H,29,33)(H,28,30,31)/t23-/m0/s1

InChI Key

JSQZGKLQWDBBNA-QHCPKHFHSA-N

MDL Number (MFCD)

MFCD08825025

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

522.09

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

6.528

Distribution Coefficient, logD

6.527

Water Solubility, LogSw

-6.12

Polar Surface Area

58.911

Acid Dissociation Constant (pKa)

10.18

Base Dissociation Constant (pKb)

-4.18

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

19.20

C202-1308 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Human Proteases Annotated Library (2868 compounds)

Selective Target Activity Profiling Library (14702 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 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 C202-1308 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C202-1308?
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What is the minimum amount of C202-1308 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C202-1308
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C202-1308
  • 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 C202-1308 available by request