V002-6843 Screening compound: N-(5-{[2-(4-fluorophenyl)-2-oxoethyl]sulfanyl}-1,3,4-thiadiazol-2-yl)acetamide

V002-6843 Screening compound: N-(5-{[2-(4-fluorophenyl)-2-oxoethyl]sulfanyl}-1,3,4-thiadiazol-2-yl)acetamide
V002-6843 Screening compound: N-(5-{[2-(4-fluorophenyl)-2-oxoethyl]sulfanyl}-1,3,4-thiadiazol-2-yl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V002-6843
N-(5-{[2-(4-fluorophenyl)-2-oxoethyl]sulfanyl}-1,3,4-thiadiazol-2-yl)acetamide

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

V002-6843

Molecular Formula

C12H10FN3O2S2 (C12 H10 FN3 O2 S2)

Compound Name

N-(5-{[2-(4-fluorophenyl)-2-oxoethyl]sulfanyl}-1,3,4-thiadiazol-2-yl)acetamide

IUPAC name

N-(5-{[2-(4-fluorophenyl)-2-oxoethyl]sulfanyl}-134-thiadiazol-2-yl)acetamide

SMILES

CC(Nc1nnc(SCC(c(cc2)ccc2F)=O)s1)=O

InChI

InChI=1S/C12H10FN3O2S2/c1-7(17)14-11-15-16-12(20-11)19-6-10(18)8-2-4-9(13)5-3-8/h2-5H,6H2,1H3,(H,14,15,17)

InChI Key

BDUYDKSMIOILGC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03609355

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

311.36

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.531

Distribution Coefficient, logD

2.530

Water Solubility, LogSw

-2.78

Polar Surface Area

59.382

Acid Dissociation Constant (pKa)

10.12

Base Dissociation Constant (pKb)

-4.09

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.67

V002-6843 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Antiparasite Library (23996 compounds)

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

Dark Chemical Matter Library (18430 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
  • Pool
Therapeutical areas:
  • Infections
  • Immune system
  • animal
Agro:
  • Agro

References: we are preparing a list of scientific research reports with V002-6843 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V002-6843?
Check Price and Availability of V002-6843, 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 V002-6843 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V002-6843
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V002-6843
  • 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 V002-6843 available by request