F414-0696 Screening compound: 5-[(3,5-dimethylphenyl)amino]-N-[(4-fluorophenyl)methyl]-1H-1,2,3-triazole-4-carboxamide

F414-0696 Screening compound: 5-[(3,5-dimethylphenyl)amino]-N-[(4-fluorophenyl)methyl]-1H-1,2,3-triazole-4-carboxamide
F414-0696 Screening compound: 5-[(3,5-dimethylphenyl)amino]-N-[(4-fluorophenyl)methyl]-1H-1,2,3-triazole-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound F414-0696
5-[(3,5-dimethylphenyl)amino]-N-[(4-fluorophenyl)methyl]-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

F414-0696

Molecular Formula

C18H18FN5O (C18 H18 FN5 O)

Compound Name

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

IUPAC name

5-[(35-dimethylphenyl)amino]-N-[(4-fluorophenyl)methyl]-1H-123-triazole-4-carboxamide

SMILES

Cc1cc(Nc2c(C(NCc(cc3)ccc3F)=O)nn[nH]2)cc(C)c1

InChI

InChI=1S/C18H18FN5O/c1-11-7-12(2)9-15(8-11)21-17-16(22-24-23-17)18(25)20-10-13-3-5-14(19)6-4-13/h3-9H,10H2,1-2H3,(H,20,25)(H2,21,22,23,24)

InChI Key

NUVBFPJEWCBXEO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27125959

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

339.37

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.017

Distribution Coefficient, logD

2.922

Water Solubility, LogSw

-3.15

Polar Surface Area

70.877

Acid Dissociation Constant (pKa)

8.01

Base Dissociation Constant (pKb)

-3.13

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.70

F414-0696 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 F414-0696 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F414-0696?
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What is the minimum amount of F414-0696 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F414-0696
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F414-0696
  • 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 F414-0696 available by request