1762-0345 Screening compound: N-[2-chloro-5-(trifluoromethyl)phenyl]-5-phenyl-7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide

1762-0345 Screening compound: N-[2-chloro-5-(trifluoromethyl)phenyl]-5-phenyl-7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
1762-0345 Screening compound: N-[2-chloro-5-(trifluoromethyl)phenyl]-5-phenyl-7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 1762-0345
N-[2-chloro-5-(trifluoromethyl)phenyl]-5-phenyl-7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-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

1762-0345

Molecular Formula

C20H10ClF6N5O (C20 H10 ClF6 N5 O)

Compound Name

N-[2-chloro-5-(trifluoromethyl)phenyl]-5-phenyl-7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide

IUPAC name

N-[2-chloro-5-(trifluoromethyl)phenyl]-5-phenyl-7-(trifluoromethyl)-[124]triazolo[15-a]pyrimidine-2-carboxamide

SMILES

O=C(c1nn2c(C(F)(F)F)cc(-c3ccccc3)nc2n1)Nc(cc(C(F)(F)F)cc1)c1Cl

InChI

InChI=1S/C20H10ClF6N5O/c21-12-7-6-11(19(22,23)24)8-14(12)28-17(33)16-30-18-29-13(10-4-2-1-3-5-10)9-15(20(25,26)27)32(18)31-16/h1-9H,(H,28,33)

InChI Key

VIHVRPIRECDRIM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00845066

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

485.78

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.731

Distribution Coefficient, logD

5.550

Water Solubility, LogSw

-6.14

Polar Surface Area

52.174

Acid Dissociation Constant (pKa)

7.69

Base Dissociation Constant (pKb)

-0.37

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

10.00

1762-0345 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 1762-0345 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1762-0345?
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What is the minimum amount of 1762-0345 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1762-0345
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1762-0345
  • 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 1762-0345 available by request