V010-1829 Screening compound: 2-chloro-N-(5-{[(2-fluorophenyl)methyl]sulfanyl}-1,3,4-thiadiazol-2-yl)benzamide

V010-1829 Screening compound: 2-chloro-N-(5-{[(2-fluorophenyl)methyl]sulfanyl}-1,3,4-thiadiazol-2-yl)benzamide
V010-1829 Screening compound: 2-chloro-N-(5-{[(2-fluorophenyl)methyl]sulfanyl}-1,3,4-thiadiazol-2-yl)benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V010-1829
2-chloro-N-(5-{[(2-fluorophenyl)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

V010-1829

Molecular Formula

C16H11ClFN3OS2 (C16 H11 ClFN3 OS2)

Compound Name

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

IUPAC name

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

SMILES

O=C(c(cccc1)c1Cl)Nc1nnc(SCc(cccc2)c2F)s1

InChI

InChI=1S/C16H11ClFN3OS2/c17-12-7-3-2-6-11(12)14(22)19-15-20-21-16(24-15)23-9-10-5-1-4-8-13(10)18/h1-8H,9H2,(H,19,20,22)

InChI Key

MKNASGPGWZJLCN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02033157

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

379.87

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

5.231

Distribution Coefficient, logD

4.941

Water Solubility, LogSw

-5.50

Polar Surface Area

45.964

Acid Dissociation Constant (pKa)

7.42

Base Dissociation Constant (pKb)

-4.69

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

6.30

V010-1829 in Drug Discovery

Included in Screening Libraries

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

Type II Kinase Inhibitors Library (6956 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Digestive system
  • Hemic and lymphatic
  • Endocrine
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with V010-1829 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V010-1829?
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What is the minimum amount of V010-1829 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V010-1829
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V010-1829
  • 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 V010-1829 available by request