C176-0222 Screening compound: 2-{[4-(4-chlorobenzenesulfonyl)-2-(4-fluorophenyl)-1,3-oxazol-5-yl]sulfanyl}-1-phenylethan-1-one

C176-0222 Screening compound: 2-{[4-(4-chlorobenzenesulfonyl)-2-(4-fluorophenyl)-1,3-oxazol-5-yl]sulfanyl}-1-phenylethan-1-one
C176-0222 Screening compound: 2-{[4-(4-chlorobenzenesulfonyl)-2-(4-fluorophenyl)-1,3-oxazol-5-yl]sulfanyl}-1-phenylethan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound C176-0222
2-{[4-(4-chlorobenzenesulfonyl)-2-(4-fluorophenyl)-1,3-oxazol-5-yl]sulfanyl}-1-phenylethan-1-one

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

C176-0222

Molecular Formula

C23H15ClFNO4S2 (C23 H15 ClFNO4 S2)

Compound Name

2-{[4-(4-chlorobenzenesulfonyl)-2-(4-fluorophenyl)-1,3-oxazol-5-yl]sulfanyl}-1-phenylethan-1-one

IUPAC name

2-{[4-(4-chlorobenzenesulfonyl)-2-(4-fluorophenyl)-13-oxazol-5-yl]sulfanyl}-1-phenylethan-1-one

SMILES

O=C(CSc(oc(-c(cc1)ccc1F)n1)c1S(c(cc1)ccc1Cl)(=O)=O)c1ccccc1

InChI

InChI=1S/C23H15ClFNO4S2/c24-17-8-12-19(13-9-17)32(28,29)22-23(31-14-20(27)15-4-2-1-3-5-15)30-21(26-22)16-6-10-18(25)11-7-16/h1-13H,14H2

InChI Key

YYCQCIIEXRNAPX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04459585

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

487.96

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.813

Distribution Coefficient, logD

5.813

Water Solubility, LogSw

-6.12

Polar Surface Area

60.915

Acid Dissociation Constant (pKa)

21.26

Base Dissociation Constant (pKb)

-10.18

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

4.30

C176-0222 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Anticancer Library (62698 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

References: we are preparing a list of scientific research reports with C176-0222 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C176-0222?
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What is the minimum amount of C176-0222 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C176-0222
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C176-0222
  • 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 C176-0222 available by request