C202-0441 Screening compound: 7-(2-chlorophenyl)-N-(2,4-dimethylphenyl)-5-methyl-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide

C202-0441 Screening compound: 7-(2-chlorophenyl)-N-(2,4-dimethylphenyl)-5-methyl-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
C202-0441 Screening compound: 7-(2-chlorophenyl)-N-(2,4-dimethylphenyl)-5-methyl-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C202-0441
7-(2-chlorophenyl)-N-(2,4-dimethylphenyl)-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

C202-0441

Molecular Formula

C21H20ClN5O (C21 H20 ClN5 O)

Compound Name

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

IUPAC name

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

SMILES

Cc(cc1)cc(C)c1NC(C1=C(C)Nc2ncnn2C1c(cccc1)c1Cl)=O

InChI

InChI=1S/C21H20ClN5O/c1-12-8-9-17(13(2)10-12)26-20(28)18-14(3)25-21-23-11-24-27(21)19(18)15-6-4-5-7-16(15)22/h4-11,19H,1-3H3,(H,26,28)(H,23,24,25)/t19-/m0/s1

InChI Key

NSMQZOSAZWRVGC-IBGZPJMESA-N

MDL Number (MFCD)

MFCD14730009

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

393.88

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.358

Distribution Coefficient, logD

4.357

Water Solubility, LogSw

-4.39

Polar Surface Area

60.383

Acid Dissociation Constant (pKa)

9.94

Base Dissociation Constant (pKb)

3.31

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

19.00

C202-0441 in Drug Discovery

Included in Screening Libraries

Dark Chemical Matter Library (18430 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool

References: we are preparing a list of scientific research reports with C202-0441 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C202-0441?
Check Price and Availability of C202-0441, 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 C202-0441 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C202-0441
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C202-0441
  • 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 C202-0441 available by request