F414-0028 Screening compound: N-(3-chloro-4-methylphenyl)-5-(phenylamino)-1H-1,2,3-triazole-4-carboxamide

F414-0028 Screening compound: N-(3-chloro-4-methylphenyl)-5-(phenylamino)-1H-1,2,3-triazole-4-carboxamide
F414-0028 Screening compound: N-(3-chloro-4-methylphenyl)-5-(phenylamino)-1H-1,2,3-triazole-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound F414-0028
N-(3-chloro-4-methylphenyl)-5-(phenylamino)-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

F414-0028

Molecular Formula

C16H14ClN5O (C16 H14 ClN5 O)

Compound Name

N-(3-chloro-4-methylphenyl)-5-(phenylamino)-1H-1,2,3-triazole-4-carboxamide

IUPAC name

N-(3-chloro-4-methylphenyl)-5-(phenylamino)-1H-123-triazole-4-carboxamide

SMILES

Cc(ccc(NC(c1c(Nc2ccccc2)[nH]nn1)=O)c1)c1Cl

InChI

InChI=1S/C16H14ClN5O/c1-10-7-8-12(9-13(10)17)19-16(23)14-15(21-22-20-14)18-11-5-3-2-4-6-11/h2-9H,1H3,(H,19,23)(H2,18,20,21,22)

InChI Key

AORWKBQQYLSFCZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD18201769

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

327.77

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

3.902

Distribution Coefficient, logD

3.836

Water Solubility, LogSw

-4.28

Polar Surface Area

69.555

Acid Dissociation Constant (pKa)

8.19

Base Dissociation Constant (pKb)

-3.18

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

6.30

F414-0028 in Drug Discovery

Included in Screening Libraries

Anti-Aging Library (44940 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Metabolic
  • Immune system
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with F414-0028 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F414-0028?
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What is the minimum amount of F414-0028 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F414-0028
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F414-0028
  • 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 F414-0028 available by request