C202-2780 Screening compound: 7-(2-chlorophenyl)-2-{[(3-fluorophenyl)methyl]sulfanyl}-N-(2-methoxyphenyl)-5-methyl-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide

C202-2780 Screening compound: 7-(2-chlorophenyl)-2-{[(3-fluorophenyl)methyl]sulfanyl}-N-(2-methoxyphenyl)-5-methyl-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
C202-2780 Screening compound: 7-(2-chlorophenyl)-2-{[(3-fluorophenyl)methyl]sulfanyl}-N-(2-methoxyphenyl)-5-methyl-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C202-2780
7-(2-chlorophenyl)-2-{[(3-fluorophenyl)methyl]sulfanyl}-N-(2-methoxyphenyl)-5-methyl-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

C202-2780

Molecular Formula

C27H23ClFN5O2S (C27 H23 ClFN5 O2 S)

Compound Name

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

IUPAC name

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

SMILES

CC(Nc1nc(SCc2cc(F)ccc2)nn1C1c(cccc2)c2Cl)=C1C(Nc(cccc1)c1OC)=O

InChI

InChI=1S/C27H23ClFN5O2S/c1-16-23(25(35)31-21-12-5-6-13-22(21)36-2)24(19-10-3-4-11-20(19)28)34-26(30-16)32-27(33-34)37-15-17-8-7-9-18(29)14-17/h3-14,24H,15H2,1-2H3,(H,31,35)(H,30,32,33)/t24-/m0/s1

InChI Key

YNFGAZAIFCLBRF-DEOSSOPVSA-N

MDL Number (MFCD)

MFCD14731255

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

536.03

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

6.215

Distribution Coefficient, logD

6.215

Water Solubility, LogSw

-6.08

Polar Surface Area

65.523

Acid Dissociation Constant (pKa)

10.49

Base Dissociation Constant (pKb)

-3.87

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

14.80

C202-2780 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with C202-2780 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C202-2780?
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What is the minimum amount of C202-2780 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C202-2780
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C202-2780
  • 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 C202-2780 available by request