6466-1350 Screening compound: N-(2-benzoyl-4-chlorophenyl)-7-(difluoromethyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide

6466-1350 Screening compound: N-(2-benzoyl-4-chlorophenyl)-7-(difluoromethyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
6466-1350 Screening compound: N-(2-benzoyl-4-chlorophenyl)-7-(difluoromethyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 6466-1350
N-(2-benzoyl-4-chlorophenyl)-7-(difluoromethyl)-5-methyl-[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

6466-1350

Molecular Formula

C21H14ClF2N5O2 (C21 H14 ClF2 N5 O2)

Compound Name

N-(2-benzoyl-4-chlorophenyl)-7-(difluoromethyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide

IUPAC name

N-(2-benzoyl-4-chlorophenyl)-7-(difluoromethyl)-5-methyl-[124]triazolo[15-a]pyrimidine-2-carboxamide

SMILES

Cc1nc2nc(C(Nc(ccc(Cl)c3)c3C(c3ccccc3)=O)=O)nn2c(C(F)F)c1

InChI

InChI=1S/C21H14ClF2N5O2/c1-11-9-16(18(23)24)29-21(25-11)27-19(28-29)20(31)26-15-8-7-13(22)10-14(15)17(30)12-5-3-2-4-6-12/h2-10,18H,1H3,(H,26,31)

InChI Key

APNBTVCOTAAFDU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02175483

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

441.82

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.661

Distribution Coefficient, logD

3.632

Water Solubility, LogSw

-4.21

Polar Surface Area

65.719

Acid Dissociation Constant (pKa)

8.57

Base Dissociation Constant (pKb)

-0.22

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

9.50

6466-1350 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

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

Protein Arginine Methyltransferases Library (27925 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Metabolic
Targets:
  • Others
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with 6466-1350 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6466-1350?
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What is the minimum amount of 6466-1350 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6466-1350
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6466-1350
  • 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 6466-1350 available by request