4896-2483 Screening compound: 4-[(E)-{[3-(4-methylphenyl)-5-sulfanyl-4H-1,2,4-triazol-4-yl]imino}methyl]benzoic acid

4896-2483 Screening compound: 4-[(E)-{[3-(4-methylphenyl)-5-sulfanyl-4H-1,2,4-triazol-4-yl]imino}methyl]benzoic acid
4896-2483 Screening compound: 4-[(E)-{[3-(4-methylphenyl)-5-sulfanyl-4H-1,2,4-triazol-4-yl]imino}methyl]benzoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 4896-2483
4-[(E)-{[3-(4-methylphenyl)-5-sulfanyl-4H-1,2,4-triazol-4-yl]imino}methyl]benzoic acid

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

4896-2483

Molecular Formula

C17H14N4O2S (C17 H14 N4 O2 S)

Compound Name

4-[(E)-{[3-(4-methylphenyl)-5-sulfanyl-4H-1,2,4-triazol-4-yl]imino}methyl]benzoic acid

IUPAC name

4-[(E)-{[3-(4-methylphenyl)-5-sulfanyl-4H-124-triazol-4-yl]imino}methyl]benzoic acid

SMILES

Cc(cc1)ccc1-c(n1/N=C/c(cc2)ccc2C(O)=O)nnc1S

InChI

InChI=1S/C17H14N4O2S/c1-11-2-6-13(7-3-11)15-19-20-17(24)21(15)18-10-12-4-8-14(9-5-12)16(22)23/h2-10H,1H3,(H,20,24)(H,22,23)

InChI Key

SRMPMANHNPCVIC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01018370

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

338.39

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.325

Distribution Coefficient, logD

-0.281

Water Solubility, LogSw

-3.14

Polar Surface Area

62.487

Acid Dissociation Constant (pKa)

3.79

Base Dissociation Constant (pKb)

2.95

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

5.90

4896-2483 in Drug Discovery

Included in Screening Libraries

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

Human Transcription Factors Annotated Library (5098 compounds)

Carbonic Anhydrase II Library (4939 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 4896-2483 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4896-2483?
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What is the minimum amount of 4896-2483 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4896-2483
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4896-2483
  • 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 4896-2483 available by request