F414-0379 Screening compound: N-(3-chloro-2-methylphenyl)-5-[(3-chlorophenyl)amino]-1H-1,2,3-triazole-4-carboxamide

F414-0379 Screening compound: N-(3-chloro-2-methylphenyl)-5-[(3-chlorophenyl)amino]-1H-1,2,3-triazole-4-carboxamide
F414-0379 Screening compound: N-(3-chloro-2-methylphenyl)-5-[(3-chlorophenyl)amino]-1H-1,2,3-triazole-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound F414-0379
N-(3-chloro-2-methylphenyl)-5-[(3-chlorophenyl)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

F414-0379

Molecular Formula

C16H13Cl2N5O (C16 H13 Cl2 N5 O)

Compound Name

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

IUPAC name

N-(3-chloro-2-methylphenyl)-5-[(3-chlorophenyl)amino]-1H-123-triazole-4-carboxamide

SMILES

Cc(c(NC(c1c(Nc2cc(Cl)ccc2)[nH]nn1)=O)ccc1)c1Cl

InChI

InChI=1S/C16H13Cl2N5O/c1-9-12(18)6-3-7-13(9)20-16(24)14-15(22-23-21-14)19-11-5-2-4-10(17)8-11/h2-8H,1H3,(H,20,24)(H2,19,21,22,23)

InChI Key

MPRXQXLDFXCEFM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27125947

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

362.22

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

4.463

Distribution Coefficient, logD

4.397

Water Solubility, LogSw

-4.45

Polar Surface Area

68.857

Acid Dissociation Constant (pKa)

8.19

Base Dissociation Constant (pKb)

-3.16

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

6.30

F414-0379 in Drug Discovery

Included in Screening Libraries

NOTUM (Wnt signaling) Library (3881 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with F414-0379 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F414-0379?
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What is the minimum amount of F414-0379 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F414-0379
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F414-0379
  • 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 F414-0379 available by request