V011-0139 Screening compound: 2-[(3,4-dichlorophenyl)methyl]-4-({[(thiophen-2-yl)methyl]sulfanyl}methyl)-1,3-thiazole

V011-0139 Screening compound: 2-[(3,4-dichlorophenyl)methyl]-4-({[(thiophen-2-yl)methyl]sulfanyl}methyl)-1,3-thiazole
V011-0139 Screening compound: 2-[(3,4-dichlorophenyl)methyl]-4-({[(thiophen-2-yl)methyl]sulfanyl}methyl)-1,3-thiazole alternative view

Chemical Structure Depiction of ChemDiv screening compound V011-0139
2-[(3,4-dichlorophenyl)methyl]-4-({[(thiophen-2-yl)methyl]sulfanyl}methyl)-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

V011-0139

Molecular Formula

C16H13Cl2NS3 (C16 H13 Cl2 NS3)

Compound Name

2-[(3,4-dichlorophenyl)methyl]-4-({[(thiophen-2-yl)methyl]sulfanyl}methyl)-1,3-thiazole

IUPAC name

2-[(34-dichlorophenyl)methyl]-4-({[(thiophen-2-yl)methyl]sulfanyl}methyl)-13-thiazole

SMILES

Clc(ccc(Cc1nc(CSCc2cccs2)cs1)c1)c1Cl

InChI

InChI=1S/C16H13Cl2NS3/c17-14-4-3-11(6-15(14)18)7-16-19-12(9-22-16)8-20-10-13-2-1-5-21-13/h1-6,9H,7-8,10H2

InChI Key

YPXSNQKAYDKYJR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19945074

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

386.39

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

1

Partition Coefficient, logP

6.735

Distribution Coefficient, logD

6.735

Water Solubility, LogSw

-6.88

Polar Surface Area

11.710

Acid Dissociation Constant (pKa)

30.63

Base Dissociation Constant (pKb)

1.85

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

18.80

V011-0139 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 compounds)

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

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
Agro:
  • Agro

References: we are preparing a list of scientific research reports with V011-0139 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V011-0139?
Check Price and Availability of V011-0139, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of V011-0139 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V011-0139
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V011-0139
  • 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 V011-0139 available by request