P496-1420 Screening compound: N-(2,4-difluorophenyl)-2-{3-[(4-methylphenyl)methyl]-1H-1,2,4-triazol-5-yl}acetamide

P496-1420 Screening compound: N-(2,4-difluorophenyl)-2-{3-[(4-methylphenyl)methyl]-1H-1,2,4-triazol-5-yl}acetamide
P496-1420 Screening compound: N-(2,4-difluorophenyl)-2-{3-[(4-methylphenyl)methyl]-1H-1,2,4-triazol-5-yl}acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound P496-1420
N-(2,4-difluorophenyl)-2-{3-[(4-methylphenyl)methyl]-1H-1,2,4-triazol-5-yl}acetamide

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

P496-1420

Molecular Formula

C18H16F2N4O (C18 H16 F2 N4 O)

Compound Name

N-(2,4-difluorophenyl)-2-{3-[(4-methylphenyl)methyl]-1H-1,2,4-triazol-5-yl}acetamide

IUPAC name

N-(24-difluorophenyl)-2-{3-[(4-methylphenyl)methyl]-1H-124-triazol-5-yl}acetamide

SMILES

Cc1ccc(Cc2n[nH]c(CC(Nc(ccc(F)c3)c3F)=O)n2)cc1

InChI

InChI=1S/C18H16F2N4O/c1-11-2-4-12(5-3-11)8-16-22-17(24-23-16)10-18(25)21-15-7-6-13(19)9-14(15)20/h2-7,9H,8,10H2,1H3,(H,21,25)(H,22,23,24)

InChI Key

FERGFXFWQATIDE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27576151

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

342.35

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.242

Distribution Coefficient, logD

3.233

Water Solubility, LogSw

-3.26

Polar Surface Area

58.184

Acid Dissociation Constant (pKa)

9.11

Base Dissociation Constant (pKb)

-0.10

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.70

P496-1420 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 P496-1420 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P496-1420?
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What is the minimum amount of P496-1420 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P496-1420
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P496-1420
  • 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 P496-1420 available by request