C176-0220 Screening compound: 4-(4-chlorobenzenesulfonyl)-2-(4-fluorophenyl)-5-(propan-2-ylsulfanyl)-1,3-oxazole

C176-0220 Screening compound: 4-(4-chlorobenzenesulfonyl)-2-(4-fluorophenyl)-5-(propan-2-ylsulfanyl)-1,3-oxazole
C176-0220 Screening compound: 4-(4-chlorobenzenesulfonyl)-2-(4-fluorophenyl)-5-(propan-2-ylsulfanyl)-1,3-oxazole alternative view

Chemical Structure Depiction of ChemDiv screening compound C176-0220
4-(4-chlorobenzenesulfonyl)-2-(4-fluorophenyl)-5-(propan-2-ylsulfanyl)-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

C176-0220

Molecular Formula

C18H15ClFNO3S2 (C18 H15 ClFNO3 S2)

Compound Name

4-(4-chlorobenzenesulfonyl)-2-(4-fluorophenyl)-5-(propan-2-ylsulfanyl)-1,3-oxazole

IUPAC name

4-(4-chlorobenzenesulfonyl)-2-(4-fluorophenyl)-5-(propan-2-ylsulfanyl)-13-oxazole

SMILES

CC(C)Sc(oc(-c(cc1)ccc1F)n1)c1S(c(cc1)ccc1Cl)(=O)=O

InChI

InChI=1S/C18H15ClFNO3S2/c1-11(2)25-18-17(26(22,23)15-9-5-13(19)6-10-15)21-16(24-18)12-3-7-14(20)8-4-12/h3-11H,1-2H3

InChI Key

HMQPBSQAELASPP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04459582

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

411.91

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

5.741

Distribution Coefficient, logD

5.741

Water Solubility, LogSw

-6.25

Polar Surface Area

47.940

Acid Dissociation Constant (pKa)

27.53

Base Dissociation Constant (pKb)

-8.73

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.70

C176-0220 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer

References: we are preparing a list of scientific research reports with C176-0220 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C176-0220?
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What is the minimum amount of C176-0220 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C176-0220
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C176-0220
  • 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 C176-0220 available by request