V029-9186 Screening compound: 4-chloro-N-{5-[(cyclopropylmethyl)sulfanyl]-1,3,4-thiadiazol-2-yl}benzamide

V029-9186 Screening compound: 4-chloro-N-{5-[(cyclopropylmethyl)sulfanyl]-1,3,4-thiadiazol-2-yl}benzamide
V029-9186 Screening compound: 4-chloro-N-{5-[(cyclopropylmethyl)sulfanyl]-1,3,4-thiadiazol-2-yl}benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V029-9186
4-chloro-N-{5-[(cyclopropylmethyl)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

V029-9186

Molecular Formula

C13H12ClN3OS2 (C13 H12 ClN3 OS2)

Compound Name

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

IUPAC name

4-chloro-N-{5-[(cyclopropylmethyl)sulfanyl]-134-thiadiazol-2-yl}benzamide

SMILES

O=C(c(cc1)ccc1Cl)Nc1nnc(SCC2CC2)s1

InChI

InChI=1S/C13H12ClN3OS2/c14-10-5-3-9(4-6-10)11(18)15-12-16-17-13(20-12)19-7-8-1-2-8/h3-6,8H,1-2,7H2,(H,15,16,18)

InChI Key

ZLEAEXKEORUNDS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19857674

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

325.84

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

4.428

Distribution Coefficient, logD

3.993

Water Solubility, LogSw

-4.76

Polar Surface Area

46.487

Acid Dissociation Constant (pKa)

7.16

Base Dissociation Constant (pKb)

-3.40

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

30.80

V029-9186 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 V029-9186 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V029-9186?
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What is the minimum amount of V029-9186 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V029-9186
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V029-9186
  • 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 V029-9186 available by request