C176-0312 Screening compound: 4-(4-chlorobenzenesulfonyl)-5-(methylsulfanyl)-2-(thiophen-2-yl)-1,3-oxazole

C176-0312 Screening compound: 4-(4-chlorobenzenesulfonyl)-5-(methylsulfanyl)-2-(thiophen-2-yl)-1,3-oxazole
C176-0312 Screening compound: 4-(4-chlorobenzenesulfonyl)-5-(methylsulfanyl)-2-(thiophen-2-yl)-1,3-oxazole alternative view

Chemical Structure Depiction of ChemDiv screening compound C176-0312
4-(4-chlorobenzenesulfonyl)-5-(methylsulfanyl)-2-(thiophen-2-yl)-1,3-oxazole

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

C176-0312

Molecular Formula

C14H10ClNO3S3 (C14 H10 ClNO3 S3)

Compound Name

4-(4-chlorobenzenesulfonyl)-5-(methylsulfanyl)-2-(thiophen-2-yl)-1,3-oxazole

IUPAC name

4-(4-chlorobenzenesulfonyl)-5-(methylsulfanyl)-2-(thiophen-2-yl)-13-oxazole

SMILES

CSc(oc(-c1cccs1)n1)c1S(c(cc1)ccc1Cl)(=O)=O

InChI

InChI=1S/C14H10ClNO3S3/c1-20-14-13(16-12(19-14)11-3-2-8-21-11)22(17,18)10-6-4-9(15)5-7-10/h2-8H,1H3

InChI Key

PDFHHYSZIWHCFS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04459674

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

371.89

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.719

Distribution Coefficient, logD

4.719

Water Solubility, LogSw

-4.92

Polar Surface Area

48.958

Acid Dissociation Constant (pKa)

32.26

Base Dissociation Constant (pKb)

-7.53

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

7.10

C176-0312 in Drug Discovery

Included in Screening Libraries

Human Transcription Factors Annotated Library (5098 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with C176-0312 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C176-0312?
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What is the minimum amount of C176-0312 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C176-0312
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C176-0312
  • 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 C176-0312 available by request