C176-0287 Screening compound: 2-{[4-(4-fluorobenzenesulfonyl)-2-(thiophen-2-yl)-1,3-oxazol-5-yl]sulfanyl}acetamide

C176-0287 Screening compound: 2-{[4-(4-fluorobenzenesulfonyl)-2-(thiophen-2-yl)-1,3-oxazol-5-yl]sulfanyl}acetamide
C176-0287 Screening compound: 2-{[4-(4-fluorobenzenesulfonyl)-2-(thiophen-2-yl)-1,3-oxazol-5-yl]sulfanyl}acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C176-0287
2-{[4-(4-fluorobenzenesulfonyl)-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

C176-0287

Molecular Formula

C15H11FN2O4S3 (C15 H11 FN2 O4 S3)

Compound Name

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

IUPAC name

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

SMILES

NC(CSc(oc(-c1cccs1)n1)c1S(c(cc1)ccc1F)(=O)=O)=O

InChI

InChI=1S/C15H11FN2O4S3/c16-9-3-5-10(6-4-9)25(20,21)14-15(24-8-12(17)19)22-13(18-14)11-2-1-7-23-11/h1-7H,8H2,(H2,17,19)

InChI Key

LYLCVEYYSHAARU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04459649

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

398.46

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

2.876

Distribution Coefficient, logD

2.876

Water Solubility, LogSw

-3.33

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

6.70

C176-0287 in Drug Discovery

Included in Screening Libraries

Antiviral Annotated Library (21441 compounds)

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

Human Proteases Annotated Library (2868 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with C176-0287 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C176-0287?
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What is the minimum amount of C176-0287 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C176-0287
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C176-0287
  • 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 C176-0287 available by request