F414-0961 Screening compound: N-(2-bromo-4-methylphenyl)-5-[(4-fluorophenyl)amino]-1H-1,2,3-triazole-4-carboxamide

F414-0961 Screening compound: N-(2-bromo-4-methylphenyl)-5-[(4-fluorophenyl)amino]-1H-1,2,3-triazole-4-carboxamide
F414-0961 Screening compound: N-(2-bromo-4-methylphenyl)-5-[(4-fluorophenyl)amino]-1H-1,2,3-triazole-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound F414-0961
N-(2-bromo-4-methylphenyl)-5-[(4-fluorophenyl)amino]-1H-1,2,3-triazole-4-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

F414-0961

Molecular Formula

C16H13BrFN5O (C16 H13 BrFN5 O)

Compound Name

N-(2-bromo-4-methylphenyl)-5-[(4-fluorophenyl)amino]-1H-1,2,3-triazole-4-carboxamide

IUPAC name

N-(2-bromo-4-methylphenyl)-5-[(4-fluorophenyl)amino]-1H-123-triazole-4-carboxamide

SMILES

Cc(cc1)cc(Br)c1NC(c1c(Nc(cc2)ccc2F)[nH]nn1)=O

InChI

InChI=1S/C16H13BrFN5O/c1-9-2-7-13(12(17)8-9)20-16(24)14-15(22-23-21-14)19-11-5-3-10(18)4-6-11/h2-8H,1H3,(H,20,24)(H2,19,21,22,23)

InChI Key

HYCVGSXNCRUGRH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD16637802

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

390.21

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.712

Distribution Coefficient, logD

3.646

Water Solubility, LogSw

-3.92

Polar Surface Area

68.857

Acid Dissociation Constant (pKa)

8.19

Base Dissociation Constant (pKb)

-3.18

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

6.30

F414-0961 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

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

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with F414-0961 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F414-0961?
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What is the minimum amount of F414-0961 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F414-0961
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F414-0961
  • 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 F414-0961 available by request