C176-0058 Screening compound: 2-{[4-(4-chlorobenzenesulfonyl)-2-phenyl-1,3-oxazol-5-yl]sulfanyl}-N-(4-ethoxyphenyl)acetamide

C176-0058 Screening compound: 2-{[4-(4-chlorobenzenesulfonyl)-2-phenyl-1,3-oxazol-5-yl]sulfanyl}-N-(4-ethoxyphenyl)acetamide
C176-0058 Screening compound: 2-{[4-(4-chlorobenzenesulfonyl)-2-phenyl-1,3-oxazol-5-yl]sulfanyl}-N-(4-ethoxyphenyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C176-0058
2-{[4-(4-chlorobenzenesulfonyl)-2-phenyl-1,3-oxazol-5-yl]sulfanyl}-N-(4-ethoxyphenyl)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

C176-0058

Molecular Formula

C25H21ClN2O5S2 (C25 H21 ClN2 O5 S2)

Compound Name

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

IUPAC name

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

SMILES

CCOc(cc1)ccc1NC(CSc(oc(-c1ccccc1)n1)c1S(c(cc1)ccc1Cl)(=O)=O)=O

InChI

InChI=1S/C25H21ClN2O5S2/c1-2-32-20-12-10-19(11-13-20)27-22(29)16-34-25-24(28-23(33-25)17-6-4-3-5-7-17)35(30,31)21-14-8-18(26)9-15-21/h3-15H,2,16H2,1H3,(H,27,29)

InChI Key

SWVHVHIECOEGQD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04459430

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

529.04

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

6.025

Distribution Coefficient, logD

6.025

Water Solubility, LogSw

-6.09

Polar Surface Area

77.941

Acid Dissociation Constant (pKa)

12.39

Base Dissociation Constant (pKb)

3.22

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

12.00

C176-0058 in Drug Discovery

Included in Screening Libraries

Human Kinases Annotated Library (2415 compounds)

Selective Target Activity Profiling Library (14702 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 C176-0058 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C176-0058?
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What is the minimum amount of C176-0058 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C176-0058
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C176-0058
  • 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 C176-0058 available by request