4408-0650 Screening compound: 2-(1H-1,3-benzodiazol-2-ylsulfanyl)-N-(4-fluorophenyl)acetamide

4408-0650 Screening compound: 2-(1H-1,3-benzodiazol-2-ylsulfanyl)-N-(4-fluorophenyl)acetamide
4408-0650 Screening compound: 2-(1H-1,3-benzodiazol-2-ylsulfanyl)-N-(4-fluorophenyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 4408-0650
2-(1H-1,3-benzodiazol-2-ylsulfanyl)-N-(4-fluorophenyl)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

4408-0650

Molecular Formula

C15H12FN3OS (C15 H12 FN3 OS)

Compound Name

2-(1H-1,3-benzodiazol-2-ylsulfanyl)-N-(4-fluorophenyl)acetamide

IUPAC name

2-(1H-13-benzodiazol-2-ylsulfanyl)-N-(4-fluorophenyl)acetamide

SMILES

O=C(CSc1nc(cccc2)c2[nH]1)Nc(cc1)ccc1F

InChI

InChI=1S/C15H12FN3OS/c16-10-5-7-11(8-6-10)17-14(20)9-21-15-18-12-3-1-2-4-13(12)19-15/h1-8H,9H2,(H,17,20)(H,18,19)

InChI Key

IOEMSSUZVXQHBV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01130565

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

301.34

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

2.883

Distribution Coefficient, logD

2.882

Water Solubility, LogSw

-3.43

Polar Surface Area

41.129

Acid Dissociation Constant (pKa)

13.66

Base Dissociation Constant (pKb)

4.01

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

6.70

4408-0650 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Anti-Aging Library (44940 compounds)

CNS targets activity set (6557 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
Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Metabolic
  • Immune system
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with 4408-0650 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4408-0650?
Check Price and Availability of 4408-0650, 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 4408-0650 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4408-0650
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4408-0650
  • 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 4408-0650 available by request