V010-0852 Screening compound: 3-chloro-N-(5-{[(3,5-dimethylphenyl)methyl]sulfanyl}-1,3,4-thiadiazol-2-yl)benzamide

V010-0852 Screening compound: 3-chloro-N-(5-{[(3,5-dimethylphenyl)methyl]sulfanyl}-1,3,4-thiadiazol-2-yl)benzamide
V010-0852 Screening compound: 3-chloro-N-(5-{[(3,5-dimethylphenyl)methyl]sulfanyl}-1,3,4-thiadiazol-2-yl)benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V010-0852
3-chloro-N-(5-{[(3,5-dimethylphenyl)methyl]sulfanyl}-1,3,4-thiadiazol-2-yl)benzamide

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

V010-0852

Molecular Formula

C18H16ClN3OS2 (C18 H16 ClN3 OS2)

Compound Name

3-chloro-N-(5-{[(3,5-dimethylphenyl)methyl]sulfanyl}-1,3,4-thiadiazol-2-yl)benzamide

IUPAC name

3-chloro-N-(5-{[(35-dimethylphenyl)methyl]sulfanyl}-134-thiadiazol-2-yl)benzamide

SMILES

Cc1cc(CSc2nnc(NC(c3cccc(Cl)c3)=O)s2)cc(C)c1

InChI

InChI=1S/C18H16ClN3OS2/c1-11-6-12(2)8-13(7-11)10-24-18-22-21-17(25-18)20-16(23)14-4-3-5-15(19)9-14/h3-9H,10H2,1-2H3,(H,20,21,23)

InChI Key

WVUUUIZWQFUFHZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19857886

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

389.93

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

6.426

Distribution Coefficient, logD

6.155

Water Solubility, LogSw

-6.28

Polar Surface Area

45.964

Acid Dissociation Constant (pKa)

7.46

Base Dissociation Constant (pKb)

-4.69

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.70

V010-0852 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Female
  • Congenital
  • Skin
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with V010-0852 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V010-0852?
Check Price and Availability of V010-0852, 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 V010-0852 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V010-0852
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V010-0852
  • 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 V010-0852 available by request