C176-0259 Screening compound: N-(4-ethoxyphenyl)-2-{[4-(4-methylbenzenesulfonyl)-2-(thiophen-2-yl)-1,3-oxazol-5-yl]sulfanyl}acetamide

C176-0259 Screening compound: N-(4-ethoxyphenyl)-2-{[4-(4-methylbenzenesulfonyl)-2-(thiophen-2-yl)-1,3-oxazol-5-yl]sulfanyl}acetamide
C176-0259 Screening compound: N-(4-ethoxyphenyl)-2-{[4-(4-methylbenzenesulfonyl)-2-(thiophen-2-yl)-1,3-oxazol-5-yl]sulfanyl}acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C176-0259
N-(4-ethoxyphenyl)-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

C176-0259

Molecular Formula

C24H22N2O5S3 (C24 H22 N2 O5 S3)

Compound Name

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

IUPAC name

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

SMILES

CCOc(cc1)ccc1NC(CSc(oc(-c1cccs1)n1)c1S(c1ccc(C)cc1)(=O)=O)=O

InChI

InChI=1S/C24H22N2O5S3/c1-3-30-18-10-8-17(9-11-18)25-21(27)15-33-24-23(26-22(31-24)20-5-4-14-32-20)34(28,29)19-12-6-16(2)7-13-19/h4-14H,3,15H2,1-2H3,(H,25,27)

InChI Key

XFRPFRQSIKHEFE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04459621

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

514.65

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.801

Distribution Coefficient, logD

5.801

Water Solubility, LogSw

-5.38

Polar Surface Area

78.960

Acid Dissociation Constant (pKa)

12.39

Base Dissociation Constant (pKb)

3.22

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.70

C176-0259 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Human Proteases Annotated Library (2868 compounds)

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 C176-0259 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C176-0259?
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What is the minimum amount of C176-0259 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C176-0259
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C176-0259
  • 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 C176-0259 available by request