V031-2486 Screening compound: 2-[({2-[(2-chloro-4-fluorophenyl)methyl]-1,3-thiazol-4-yl}methyl)sulfanyl]-4-phenyl-1,3-thiazole

V031-2486 Screening compound: 2-[({2-[(2-chloro-4-fluorophenyl)methyl]-1,3-thiazol-4-yl}methyl)sulfanyl]-4-phenyl-1,3-thiazole
V031-2486 Screening compound: 2-[({2-[(2-chloro-4-fluorophenyl)methyl]-1,3-thiazol-4-yl}methyl)sulfanyl]-4-phenyl-1,3-thiazole alternative view

Chemical Structure Depiction of ChemDiv screening compound V031-2486
2-[({2-[(2-chloro-4-fluorophenyl)methyl]-1,3-thiazol-4-yl}methyl)sulfanyl]-4-phenyl-1,3-thiazole

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

V031-2486

Molecular Formula

C20H14ClFN2S3 (C20 H14 ClFN2 S3)

Compound Name

2-[({2-[(2-chloro-4-fluorophenyl)methyl]-1,3-thiazol-4-yl}methyl)sulfanyl]-4-phenyl-1,3-thiazole

IUPAC name

2-[({2-[(2-chloro-4-fluorophenyl)methyl]-13-thiazol-4-yl}methyl)sulfanyl]-4-phenyl-13-thiazole

SMILES

Fc1cc(Cl)c(Cc2nc(CSc3nc(-c4ccccc4)cs3)cs2)cc1

InChI

InChI=1S/C20H14ClFN2S3/c21-17-9-15(22)7-6-14(17)8-19-23-16(10-25-19)11-26-20-24-18(12-27-20)13-4-2-1-3-5-13/h1-7,9-10,12H,8,11H2

InChI Key

PUHNPGFGKKDXDL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19945053

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

432.99

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

2

Partition Coefficient, logP

7.652

Distribution Coefficient, logD

7.652

Water Solubility, LogSw

-6.90

Polar Surface Area

19.786

Acid Dissociation Constant (pKa)

27.57

Base Dissociation Constant (pKb)

1.91

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

10.00

V031-2486 in Drug Discovery

Included in Screening Libraries

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

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with V031-2486 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V031-2486?
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What is the minimum amount of V031-2486 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V031-2486
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V031-2486
  • 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 V031-2486 available by request