C176-0178 Screening compound: N-(4-ethoxyphenyl)-2-{[2-(4-fluorophenyl)-4-(4-methylbenzenesulfonyl)-1,3-oxazol-5-yl]sulfanyl}acetamide

C176-0178 Screening compound: N-(4-ethoxyphenyl)-2-{[2-(4-fluorophenyl)-4-(4-methylbenzenesulfonyl)-1,3-oxazol-5-yl]sulfanyl}acetamide
C176-0178 Screening compound: N-(4-ethoxyphenyl)-2-{[2-(4-fluorophenyl)-4-(4-methylbenzenesulfonyl)-1,3-oxazol-5-yl]sulfanyl}acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C176-0178
N-(4-ethoxyphenyl)-2-{[2-(4-fluorophenyl)-4-(4-methylbenzenesulfonyl)-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

C176-0178

Molecular Formula

C26H23FN2O5S2 (C26 H23 FN2 O5 S2)

Compound Name

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

IUPAC name

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

SMILES

CCOc(cc1)ccc1NC(CSc(oc(-c(cc1)ccc1F)n1)c1S(c1ccc(C)cc1)(=O)=O)=O

InChI

InChI=1S/C26H23FN2O5S2/c1-3-33-21-12-10-20(11-13-21)28-23(30)16-35-26-25(36(31,32)22-14-4-17(2)5-15-22)29-24(34-26)18-6-8-19(27)9-7-18/h4-15H,3,16H2,1-2H3,(H,28,30)

InChI Key

WIDFLSFYGBYBGD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04459539

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

526.61

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

5.988

Distribution Coefficient, logD

5.988

Water Solubility, LogSw

-5.45

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

15.40

C176-0178 in Drug Discovery

Included in Screening Libraries

Human Kinases Annotated Library (2415 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 C176-0178 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C176-0178?
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What is the minimum amount of C176-0178 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C176-0178
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C176-0178
  • 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 C176-0178 available by request