C202-3129 Screening compound: 7-(4-chlorophenyl)-N-(4-fluorophenyl)-5-methyl-2-(methylsulfanyl)-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide

C202-3129 Screening compound: 7-(4-chlorophenyl)-N-(4-fluorophenyl)-5-methyl-2-(methylsulfanyl)-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
C202-3129 Screening compound: 7-(4-chlorophenyl)-N-(4-fluorophenyl)-5-methyl-2-(methylsulfanyl)-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C202-3129
7-(4-chlorophenyl)-N-(4-fluorophenyl)-5-methyl-2-(methylsulfanyl)-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

C202-3129

Molecular Formula

C20H17ClFN5OS (C20 H17 ClFN5 OS)

Compound Name

7-(4-chlorophenyl)-N-(4-fluorophenyl)-5-methyl-2-(methylsulfanyl)-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide

IUPAC name

7-(4-chlorophenyl)-N-(4-fluorophenyl)-5-methyl-2-(methylsulfanyl)-4H7H-[124]triazolo[15-a]pyrimidine-6-carboxamide

SMILES

CC(Nc1nc(SC)nn1C1c(cc2)ccc2Cl)=C1C(Nc(cc1)ccc1F)=O

InChI

InChI=1S/C20H17ClFN5OS/c1-11-16(18(28)24-15-9-7-14(22)8-10-15)17(12-3-5-13(21)6-4-12)27-19(23-11)25-20(26-27)29-2/h3-10,17H,1-2H3,(H,24,28)(H,23,25,26)/t17-/m0/s1

InChI Key

OHHBTVGUMIIPJK-KRWDZBQOSA-N

MDL Number (MFCD)

MFCD14731499

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

429.91

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.704

Distribution Coefficient, logD

4.703

Water Solubility, LogSw

-5.08

Polar Surface Area

58.862

Acid Dissociation Constant (pKa)

10.07

Base Dissociation Constant (pKb)

2.32

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

15.00

C202-3129 in Drug Discovery

Included in Screening Libraries

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with C202-3129 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C202-3129?
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What is the minimum amount of C202-3129 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C202-3129
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C202-3129
  • 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 C202-3129 available by request