P496-1601 Screening compound: N-(2,3-dimethylphenyl)-2-{3-[(3-methylphenyl)methyl]-1H-1,2,4-triazol-5-yl}acetamide

P496-1601 Screening compound: N-(2,3-dimethylphenyl)-2-{3-[(3-methylphenyl)methyl]-1H-1,2,4-triazol-5-yl}acetamide
P496-1601 Screening compound: N-(2,3-dimethylphenyl)-2-{3-[(3-methylphenyl)methyl]-1H-1,2,4-triazol-5-yl}acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound P496-1601
N-(2,3-dimethylphenyl)-2-{3-[(3-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

P496-1601

Molecular Formula

C20H22N4O (C20 H22 N4 O)

Compound Name

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

IUPAC name

N-(23-dimethylphenyl)-2-{3-[(3-methylphenyl)methyl]-1H-124-triazol-5-yl}acetamide

SMILES

Cc1cccc(Cc2n[nH]c(CC(Nc3c(C)c(C)ccc3)=O)n2)c1

InChI

InChI=1S/C20H22N4O/c1-13-6-4-8-16(10-13)11-18-22-19(24-23-18)12-20(25)21-17-9-5-7-14(2)15(17)3/h4-10H,11-12H2,1-3H3,(H,21,25)(H,22,23,24)

InChI Key

CEPRYTFMZOZKND-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27576177

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

334.42

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

4.225

Distribution Coefficient, logD

4.223

Water Solubility, LogSw

-4.31

Polar Surface Area

58.184

Acid Dissociation Constant (pKa)

9.62

Base Dissociation Constant (pKb)

0.65

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

P496-1601 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with P496-1601 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P496-1601?
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What is the minimum amount of P496-1601 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P496-1601
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P496-1601
  • 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 P496-1601 available by request