J015-0245 Screening compound: 3-bromo-6-(4H-1,2,4-triazol-4-yl)-N-[2-(trifluoromethyl)phenyl]pyridine-2-carboxamide

J015-0245 Screening compound: 3-bromo-6-(4H-1,2,4-triazol-4-yl)-N-[2-(trifluoromethyl)phenyl]pyridine-2-carboxamide
J015-0245 Screening compound: 3-bromo-6-(4H-1,2,4-triazol-4-yl)-N-[2-(trifluoromethyl)phenyl]pyridine-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound J015-0245
3-bromo-6-(4H-1,2,4-triazol-4-yl)-N-[2-(trifluoromethyl)phenyl]pyridine-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

J015-0245

Molecular Formula

C15H9BrF3N5O (C15 H9 BrF3 N5 O)

Compound Name

3-bromo-6-(4H-1,2,4-triazol-4-yl)-N-[2-(trifluoromethyl)phenyl]pyridine-2-carboxamide

IUPAC name

3-bromo-6-(4H-124-triazol-4-yl)-N-[2-(trifluoromethyl)phenyl]pyridine-2-carboxamide

SMILES

O=C(c(nc(cc1)-n2cnnc2)c1Br)Nc1c(C(F)(F)F)cccc1

InChI

InChI=1S/C15H9BrF3N5O/c16-10-5-6-12(24-7-20-21-8-24)23-13(10)14(25)22-11-4-2-1-3-9(11)15(17,18)19/h1-8H,(H,22,25)

InChI Key

AUALUNGUMNCOGM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15078235

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

412.17

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.513

Distribution Coefficient, logD

3.512

Water Solubility, LogSw

-3.88

Polar Surface Area

57.513

Acid Dissociation Constant (pKa)

10.02

Base Dissociation Constant (pKb)

1.72

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

6.70

J015-0245 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 compounds)

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

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
Agro:
  • Agro

References: we are preparing a list of scientific research reports with J015-0245 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound J015-0245?
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What is the minimum amount of J015-0245 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for J015-0245
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for J015-0245
  • 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 J015-0245 available by request