C202-1100 Screening compound: 2-{[(3-chlorophenyl)methyl]sulfanyl}-N-(2,4-dimethylphenyl)-5-methyl-7-(4-methylphenyl)-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide

C202-1100 Screening compound: 2-{[(3-chlorophenyl)methyl]sulfanyl}-N-(2,4-dimethylphenyl)-5-methyl-7-(4-methylphenyl)-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
C202-1100 Screening compound: 2-{[(3-chlorophenyl)methyl]sulfanyl}-N-(2,4-dimethylphenyl)-5-methyl-7-(4-methylphenyl)-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C202-1100
2-{[(3-chlorophenyl)methyl]sulfanyl}-N-(2,4-dimethylphenyl)-5-methyl-7-(4-methylphenyl)-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

C202-1100

Molecular Formula

C29H28ClN5OS (C29 H28 ClN5 OS)

Compound Name

2-{[(3-chlorophenyl)methyl]sulfanyl}-N-(2,4-dimethylphenyl)-5-methyl-7-(4-methylphenyl)-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide

IUPAC name

2-{[(3-chlorophenyl)methyl]sulfanyl}-N-(24-dimethylphenyl)-5-methyl-7-(4-methylphenyl)-4H7H-[124]triazolo[15-a]pyrimidine-6-carboxamide

SMILES

Cc1ccc(C(C(C(Nc2c(C)cc(C)cc2)=O)=C(C)Nc2n3)n2nc3SCc2cccc(Cl)c2)cc1

InChI

InChI=1S/C29H28ClN5OS/c1-17-8-11-22(12-9-17)26-25(27(36)32-24-13-10-18(2)14-19(24)3)20(4)31-28-33-29(34-35(26)28)37-16-21-6-5-7-23(30)15-21/h5-15,26H,16H2,1-4H3,(H,32,36)(H,31,33,34)/t26-/m0/s1

InChI Key

XXKGYFDXXDTSEI-SANMLTNESA-N

MDL Number (MFCD)

MFCD14730308

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

530.09

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

7.324

Distribution Coefficient, logD

7.323

Water Solubility, LogSw

-6.46

Polar Surface Area

57.893

Acid Dissociation Constant (pKa)

10.33

Base Dissociation Constant (pKb)

3.86

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

20.70

References: we are preparing a list of scientific research reports with C202-1100 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C202-1100?
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What is the minimum amount of C202-1100 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C202-1100
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C202-1100
  • 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 C202-1100 available by request