C176-0165 Screening compound: 4-(benzenesulfonyl)-2-(4-fluorophenyl)-5-(methylsulfanyl)-1,3-oxazole

C176-0165 Screening compound: 4-(benzenesulfonyl)-2-(4-fluorophenyl)-5-(methylsulfanyl)-1,3-oxazole
C176-0165 Screening compound: 4-(benzenesulfonyl)-2-(4-fluorophenyl)-5-(methylsulfanyl)-1,3-oxazole alternative view

Chemical Structure Depiction of ChemDiv screening compound C176-0165
4-(benzenesulfonyl)-2-(4-fluorophenyl)-5-(methylsulfanyl)-1,3-oxazole

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

C176-0165

Molecular Formula

C16H12FNO3S2 (C16 H12 FNO3 S2)

Compound Name

4-(benzenesulfonyl)-2-(4-fluorophenyl)-5-(methylsulfanyl)-1,3-oxazole

IUPAC name

4-(benzenesulfonyl)-2-(4-fluorophenyl)-5-(methylsulfanyl)-13-oxazole

SMILES

CSc(oc(-c(cc1)ccc1F)n1)c1S(c1ccccc1)(=O)=O

InChI

InChI=1S/C16H12FNO3S2/c1-22-16-15(23(19,20)13-5-3-2-4-6-13)18-14(21-16)11-7-9-12(17)10-8-11/h2-10H,1H3

InChI Key

UVBKROMQBJINJM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04459526

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

349.41

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.126

Distribution Coefficient, logD

4.126

Water Solubility, LogSw

-4.31

Polar Surface Area

47.940

Acid Dissociation Constant (pKa)

32.26

Base Dissociation Constant (pKb)

-8.51

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

6.30

C176-0165 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Anti-Aging Library (44940 compounds)

Dark Chemical Matter Library (18430 compounds)

Selective Target Activity Profiling Library (14702 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

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

Included in 1.7M Stock Database

Structure:
  • 3D
  • Pool
Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Metabolic
  • Immune system
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with C176-0165 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C176-0165?
Check Price and Availability of C176-0165, 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 C176-0165 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C176-0165
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C176-0165
  • 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 C176-0165 available by request