C176-0231 Screening compound: 4-(4-bromobenzenesulfonyl)-2-(4-fluorophenyl)-5-(methylsulfanyl)-1,3-oxazole

C176-0231 Screening compound: 4-(4-bromobenzenesulfonyl)-2-(4-fluorophenyl)-5-(methylsulfanyl)-1,3-oxazole
C176-0231 Screening compound: 4-(4-bromobenzenesulfonyl)-2-(4-fluorophenyl)-5-(methylsulfanyl)-1,3-oxazole alternative view

Chemical Structure Depiction of ChemDiv screening compound C176-0231
4-(4-bromobenzenesulfonyl)-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

C176-0231

Molecular Formula

C16H11BrFNO3S2 (C16 H11 BrFNO3 S2)

Compound Name

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

IUPAC name

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

SMILES

CSc(oc(-c(cc1)ccc1F)n1)c1S(c(cc1)ccc1Br)(=O)=O

InChI

InChI=1S/C16H11BrFNO3S2/c1-23-16-15(24(20,21)13-8-4-11(17)5-9-13)19-14(22-16)10-2-6-12(18)7-3-10/h2-9H,1H3

InChI Key

GKQPIVBSQZDKRG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04459594

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

428.3

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

5.145

Distribution Coefficient, logD

5.145

Water Solubility, LogSw

-5.22

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

C176-0231 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Anti-Aging Library (44940 compounds)

Anticancer Library (62698 compounds)

Antiviral Annotated Library (21441 compounds)

Selective Target Activity Profiling Library (14702 compounds)

Akt-Targeted Library (14764 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
Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Metabolic
  • Immune system
  • Cancer
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Mechanism of action:
  • Epigenetic
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with C176-0231 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C176-0231?
Check Price and Availability of C176-0231, 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 C176-0231 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C176-0231
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C176-0231
  • 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 C176-0231 available by request