6466-1366 Screening compound: 7-(difluoromethyl)-5-methyl-N-[3-nitro-5-(pyridin-2-ylsulfanyl)phenyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide

6466-1366 Screening compound: 7-(difluoromethyl)-5-methyl-N-[3-nitro-5-(pyridin-2-ylsulfanyl)phenyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
6466-1366 Screening compound: 7-(difluoromethyl)-5-methyl-N-[3-nitro-5-(pyridin-2-ylsulfanyl)phenyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 6466-1366
7-(difluoromethyl)-5-methyl-N-[3-nitro-5-(pyridin-2-ylsulfanyl)phenyl]-[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

6466-1366

Molecular Formula

C19H13F2N7O3S (C19 H13 F2 N7 O3 S)

Compound Name

7-(difluoromethyl)-5-methyl-N-[3-nitro-5-(pyridin-2-ylsulfanyl)phenyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide

IUPAC name

7-(difluoromethyl)-5-methyl-N-[3-nitro-5-(pyridin-2-ylsulfanyl)phenyl]-[124]triazolo[15-a]pyrimidine-2-carboxamide

SMILES

Cc1nc2nc(C(Nc3cc(Sc4ncccc4)cc([N+]([O-])=O)c3)=O)nn2c(C(F)F)c1

InChI

InChI=1S/C19H13F2N7O3S/c1-10-6-14(16(20)21)27-19(23-10)25-17(26-27)18(29)24-11-7-12(28(30)31)9-13(8-11)32-15-4-2-3-5-22-15/h2-9,16H,1H3,(H,24,29)

InChI Key

JBQBIMIMKMVPKF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02175721

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

457.42

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

2.949

Distribution Coefficient, logD

2.948

Water Solubility, LogSw

-3.46

Polar Surface Area

94.469

Acid Dissociation Constant (pKa)

10.12

Base Dissociation Constant (pKb)

4.07

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

10.50

6466-1366 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

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

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 6466-1366 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6466-1366?
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What is the minimum amount of 6466-1366 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6466-1366
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6466-1366
  • 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 6466-1366 available by request