C176-0253 Screening compound: 4-(benzenesulfonyl)-5-{[(2-fluorophenyl)methyl]sulfanyl}-2-(thiophen-2-yl)-1,3-oxazole

C176-0253 Screening compound: 4-(benzenesulfonyl)-5-{[(2-fluorophenyl)methyl]sulfanyl}-2-(thiophen-2-yl)-1,3-oxazole
C176-0253 Screening compound: 4-(benzenesulfonyl)-5-{[(2-fluorophenyl)methyl]sulfanyl}-2-(thiophen-2-yl)-1,3-oxazole alternative view

Chemical Structure Depiction of ChemDiv screening compound C176-0253
4-(benzenesulfonyl)-5-{[(2-fluorophenyl)methyl]sulfanyl}-2-(thiophen-2-yl)-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

C176-0253

Molecular Formula

C20H14FNO3S3 (C20 H14 FNO3 S3)

Compound Name

4-(benzenesulfonyl)-5-{[(2-fluorophenyl)methyl]sulfanyl}-2-(thiophen-2-yl)-1,3-oxazole

IUPAC name

4-(benzenesulfonyl)-5-{[(2-fluorophenyl)methyl]sulfanyl}-2-(thiophen-2-yl)-13-oxazole

SMILES

O=S(c(nc(-c1cccs1)o1)c1SCc(cccc1)c1F)(c1ccccc1)=O

InChI

InChI=1S/C20H14FNO3S3/c21-16-10-5-4-7-14(16)13-27-20-19(22-18(25-20)17-11-6-12-26-17)28(23,24)15-8-2-1-3-9-15/h1-12H,13H2

InChI Key

SYCDATNDNQNUAJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04459616

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

431.53

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

5.712

Distribution Coefficient, logD

5.712

Water Solubility, LogSw

-5.95

Polar Surface Area

48.687

Acid Dissociation Constant (pKa)

28.37

Base Dissociation Constant (pKb)

-8.51

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

5.00

C176-0253 in Drug Discovery

Included in Screening Libraries

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with C176-0253 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C176-0253?
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What is the minimum amount of C176-0253 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C176-0253
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C176-0253
  • 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 C176-0253 available by request