C202-1205 Screening compound: 2-{[(2-chlorophenyl)methyl]sulfanyl}-N-(2,4-dimethylphenyl)-5-methyl-7-(propan-2-yl)-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide

C202-1205 Screening compound: 2-{[(2-chlorophenyl)methyl]sulfanyl}-N-(2,4-dimethylphenyl)-5-methyl-7-(propan-2-yl)-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
C202-1205 Screening compound: 2-{[(2-chlorophenyl)methyl]sulfanyl}-N-(2,4-dimethylphenyl)-5-methyl-7-(propan-2-yl)-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C202-1205
2-{[(2-chlorophenyl)methyl]sulfanyl}-N-(2,4-dimethylphenyl)-5-methyl-7-(propan-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

C202-1205

Molecular Formula

C25H28ClN5OS (C25 H28 ClN5 OS)

Compound Name

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

SMILES

CC(C)C(C(C(Nc1c(C)cc(C)cc1)=O)=C(C)Nc1n2)n1nc2SCc(cccc1)c1Cl

InChI

InChI=1S/C25H28ClN5OS/c1-14(2)22-21(23(32)28-20-11-10-15(3)12-16(20)4)17(5)27-24-29-25(30-31(22)24)33-13-18-8-6-7-9-19(18)26/h6-12,14,22H,13H2,1-5H3,(H,28,32)(H,27,29,30)/t22-/m0/s1

InChI Key

GCHWIJDVCFPPLH-QFIPXVFZSA-N

MDL Number (MFCD)

MFCD14730361

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

482.05

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

6.383

Distribution Coefficient, logD

6.378

Water Solubility, LogSw

-6.06

Polar Surface Area

58.164

Acid Dissociation Constant (pKa)

10.09

Base Dissociation Constant (pKb)

5.33

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

32.00

C202-1205 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Human Kinases Annotated Library (2415 compounds)

Selective Target Activity Profiling Library (14702 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 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 C202-1205 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C202-1205?
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What is the minimum amount of C202-1205 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C202-1205
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C202-1205
  • 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 C202-1205 available by request