C176-0264 Screening compound: 2-{[4-(4-methylbenzenesulfonyl)-2-(thiophen-2-yl)-1,3-oxazol-5-yl]sulfanyl}acetamide

C176-0264 Screening compound: 2-{[4-(4-methylbenzenesulfonyl)-2-(thiophen-2-yl)-1,3-oxazol-5-yl]sulfanyl}acetamide
C176-0264 Screening compound: 2-{[4-(4-methylbenzenesulfonyl)-2-(thiophen-2-yl)-1,3-oxazol-5-yl]sulfanyl}acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C176-0264
2-{[4-(4-methylbenzenesulfonyl)-2-(thiophen-2-yl)-1,3-oxazol-5-yl]sulfanyl}acetamide

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

C176-0264

Molecular Formula

C16H14N2O4S3 (C16 H14 N2 O4 S3)

Compound Name

2-{[4-(4-methylbenzenesulfonyl)-2-(thiophen-2-yl)-1,3-oxazol-5-yl]sulfanyl}acetamide

IUPAC name

2-{[4-(4-methylbenzenesulfonyl)-2-(thiophen-2-yl)-13-oxazol-5-yl]sulfanyl}acetamide

SMILES

Cc(cc1)ccc1S(c(nc(-c1cccs1)o1)c1SCC(N)=O)(=O)=O

InChI

InChI=1S/C16H14N2O4S3/c1-10-4-6-11(7-5-10)25(20,21)15-16(24-9-13(17)19)22-14(18-15)12-3-2-8-23-12/h2-8H,9H2,1H3,(H2,17,19)

InChI Key

SWXDQRSZGMPGIO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04459626

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

394.5

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.271

Distribution Coefficient, logD

3.271

Water Solubility, LogSw

-3.41

Polar Surface Area

82.346

Acid Dissociation Constant (pKa)

15.56

Base Dissociation Constant (pKb)

-0.31

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

12.50

C176-0264 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 C176-0264 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C176-0264?
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What is the minimum amount of C176-0264 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C176-0264
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C176-0264
  • 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 C176-0264 available by request