6232-1660 Screening compound: N-(2,3-dimethylphenyl)-2-({5-[hydroxy(phenyl)methyl]-4-phenyl-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide

6232-1660 Screening compound: N-(2,3-dimethylphenyl)-2-({5-[hydroxy(phenyl)methyl]-4-phenyl-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide
6232-1660 Screening compound: N-(2,3-dimethylphenyl)-2-({5-[hydroxy(phenyl)methyl]-4-phenyl-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 6232-1660
N-(2,3-dimethylphenyl)-2-({5-[hydroxy(phenyl)methyl]-4-phenyl-4H-1,2,4-triazol-3-yl}sulfanyl)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

6232-1660

Molecular Formula

C25H24N4O2S (C25 H24 N4 O2 S)

Compound Name

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

IUPAC name

N-(23-dimethylphenyl)-2-({5-[hydroxy(phenyl)methyl]-4-phenyl-4H-124-triazol-3-yl}sulfanyl)acetamide

SMILES

Cc1cccc(NC(CSc2nnc(C(c3ccccc3)O)n2-c2ccccc2)=O)c1C

InChI

InChI=1S/C25H24N4O2S/c1-17-10-9-15-21(18(17)2)26-22(30)16-32-25-28-27-24(23(31)19-11-5-3-6-12-19)29(25)20-13-7-4-8-14-20/h3-15,23,31H,16H2,1-2H3,(H,26,30)/t23-/m1/s1

InChI Key

BHZCURSSFGHQPU-HSZRJFAPSA-N

MDL Number (MFCD)

MFCD01896097

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

444.56

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.300

Distribution Coefficient, logD

4.300

Water Solubility, LogSw

-4.14

Polar Surface Area

62.849

Acid Dissociation Constant (pKa)

12.83

Base Dissociation Constant (pKb)

1.01

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

16.00

6232-1660 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 6232-1660 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6232-1660?
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What is the minimum amount of 6232-1660 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6232-1660
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6232-1660
  • 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 6232-1660 available by request