V011-0639 Screening compound: N-(5-{[(2-chlorophenyl)methyl]sulfanyl}-1,3,4-thiadiazol-2-yl)cyclohexanecarboxamide

V011-0639 Screening compound: N-(5-{[(2-chlorophenyl)methyl]sulfanyl}-1,3,4-thiadiazol-2-yl)cyclohexanecarboxamide
V011-0639 Screening compound: N-(5-{[(2-chlorophenyl)methyl]sulfanyl}-1,3,4-thiadiazol-2-yl)cyclohexanecarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V011-0639
N-(5-{[(2-chlorophenyl)methyl]sulfanyl}-1,3,4-thiadiazol-2-yl)cyclohexanecarboxamide

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

V011-0639

Molecular Formula

C16H18ClN3OS2 (C16 H18 ClN3 OS2)

Compound Name

N-(5-{[(2-chlorophenyl)methyl]sulfanyl}-1,3,4-thiadiazol-2-yl)cyclohexanecarboxamide

IUPAC name

N-(5-{[(2-chlorophenyl)methyl]sulfanyl}-134-thiadiazol-2-yl)cyclohexanecarboxamide

SMILES

O=C(C1CCCCC1)Nc1nnc(SCc(cccc2)c2Cl)s1

InChI

InChI=1S/C16H18ClN3OS2/c17-13-9-5-4-8-12(13)10-22-16-20-19-15(23-16)18-14(21)11-6-2-1-3-7-11/h4-5,8-9,11H,1-3,6-7,10H2,(H,18,19,21)

InChI Key

WJVPCYRSQJYSFB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05933104

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

367.92

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

5.330

Distribution Coefficient, logD

5.324

Water Solubility, LogSw

-5.83

Polar Surface Area

46.156

Acid Dissociation Constant (pKa)

9.23

Base Dissociation Constant (pKb)

-4.01

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

43.80

V011-0639 in Drug Discovery

Included in Screening Libraries

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 V011-0639 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V011-0639?
Check Price and Availability of V011-0639, 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 V011-0639 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V011-0639
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V011-0639
  • 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 V011-0639 available by request