C176-0245 Screening compound: 4-(benzenesulfonyl)-5-(propylsulfanyl)-2-(thiophen-2-yl)-1,3-oxazole

C176-0245 Screening compound: 4-(benzenesulfonyl)-5-(propylsulfanyl)-2-(thiophen-2-yl)-1,3-oxazole
C176-0245 Screening compound: 4-(benzenesulfonyl)-5-(propylsulfanyl)-2-(thiophen-2-yl)-1,3-oxazole alternative view

Chemical Structure Depiction of ChemDiv screening compound C176-0245
4-(benzenesulfonyl)-5-(propylsulfanyl)-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

C176-0245

Molecular Formula

C16H15NO3S3 (C16 H15 NO3 S3)

Compound Name

4-(benzenesulfonyl)-5-(propylsulfanyl)-2-(thiophen-2-yl)-1,3-oxazole

IUPAC name

4-(benzenesulfonyl)-5-(propylsulfanyl)-2-(thiophen-2-yl)-13-oxazole

SMILES

CCCSc(oc(-c1cccs1)n1)c1S(c1ccccc1)(=O)=O

InChI

InChI=1S/C16H15NO3S3/c1-2-10-22-16-15(17-14(20-16)13-9-6-11-21-13)23(18,19)12-7-4-3-5-8-12/h3-9,11H,2,10H2,1H3

InChI Key

AHHZFGAIPWJGNU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04459608

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

365.5

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.704

Distribution Coefficient, logD

4.704

Water Solubility, LogSw

-4.43

Polar Surface Area

48.958

Acid Dissociation Constant (pKa)

27.73

Base Dissociation Constant (pKb)

-7.43

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

18.80

C176-0245 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 compounds)

Human Transcription Factors Annotated Library (5098 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
Agro:
  • Agro

References: we are preparing a list of scientific research reports with C176-0245 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C176-0245?
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What is the minimum amount of C176-0245 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C176-0245
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C176-0245
  • 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 C176-0245 available by request