C202-1213 Screening compound: N-(4-chlorophenyl)-2-{[(3-chlorophenyl)methyl]sulfanyl}-7-(4-fluorophenyl)-5-methyl-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide

C202-1213 Screening compound: N-(4-chlorophenyl)-2-{[(3-chlorophenyl)methyl]sulfanyl}-7-(4-fluorophenyl)-5-methyl-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
C202-1213 Screening compound: N-(4-chlorophenyl)-2-{[(3-chlorophenyl)methyl]sulfanyl}-7-(4-fluorophenyl)-5-methyl-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C202-1213
N-(4-chlorophenyl)-2-{[(3-chlorophenyl)methyl]sulfanyl}-7-(4-fluorophenyl)-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

C202-1213

Molecular Formula

C26H20Cl2FN5OS (C26 H20 Cl2 FN5 OS)

Compound Name

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

IUPAC name

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

SMILES

CC(Nc1nc(SCc2cccc(Cl)c2)nn1C1c(cc2)ccc2F)=C1C(Nc(cc1)ccc1Cl)=O

InChI

InChI=1S/C26H20Cl2FN5OS/c1-15-22(24(35)31-21-11-7-18(27)8-12-21)23(17-5-9-20(29)10-6-17)34-25(30-15)32-26(33-34)36-14-16-3-2-4-19(28)13-16/h2-13,23H,14H2,1H3,(H,31,35)(H,30,32,33)/t23-/m0/s1

InChI Key

NNKOZMNIVKIAFN-QHCPKHFHSA-N

MDL Number (MFCD)

MFCD14730364

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

540.45

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

6.844

Distribution Coefficient, logD

6.843

Water Solubility, LogSw

-6.50

Polar Surface Area

58.591

Acid Dissociation Constant (pKa)

10.33

Base Dissociation Constant (pKb)

2.32

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

11.50

References: we are preparing a list of scientific research reports with C202-1213 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C202-1213?
Check Price and Availability of C202-1213, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of C202-1213 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C202-1213
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C202-1213
  • 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 C202-1213 available by request