8018-3432 Screening compound: 3-({[(2-phenyl-1,3-thiazol-4-yl)methyl]sulfanyl}methyl)-4,5-dihydro-1H-1,2,4-triazol-5-one

8018-3432 Screening compound: 3-({[(2-phenyl-1,3-thiazol-4-yl)methyl]sulfanyl}methyl)-4,5-dihydro-1H-1,2,4-triazol-5-one
8018-3432 Screening compound: 3-({[(2-phenyl-1,3-thiazol-4-yl)methyl]sulfanyl}methyl)-4,5-dihydro-1H-1,2,4-triazol-5-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 8018-3432
3-({[(2-phenyl-1,3-thiazol-4-yl)methyl]sulfanyl}methyl)-4,5-dihydro-1H-1,2,4-triazol-5-one

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

8018-3432

Molecular Formula

C13H12N4OS2 (C13 H12 N4 OS2)

Compound Name

3-({[(2-phenyl-1,3-thiazol-4-yl)methyl]sulfanyl}methyl)-4,5-dihydro-1H-1,2,4-triazol-5-one

IUPAC name

3-({[(2-phenyl-13-thiazol-4-yl)methyl]sulfanyl}methyl)-45-dihydro-1H-124-triazol-5-one

SMILES

O=C1NN=C(CSCc2csc(-c3ccccc3)n2)N1

InChI

InChI=1S/C13H12N4OS2/c18-13-15-11(16-17-13)8-19-6-10-7-20-12(14-10)9-4-2-1-3-5-9/h1-5,7H,6,8H2,(H2,15,16,17,18)

InChI Key

OWFAJNCBKDLAJE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD07402206

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

304.4

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.201

Distribution Coefficient, logD

2.820

Water Solubility, LogSw

-3.33

Polar Surface Area

59.655

Acid Dissociation Constant (pKa)

7.25

Base Dissociation Constant (pKb)

4.79

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.38

8018-3432 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 8018-3432 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8018-3432?
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What is the minimum amount of 8018-3432 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8018-3432
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8018-3432
  • 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 8018-3432 available by request