C176-0368 Screening compound: 2-{[4-(benzenesulfonyl)-2-(furan-2-yl)-1,3-oxazol-5-yl]sulfanyl}-1-(4-chlorophenyl)ethan-1-one

C176-0368 Screening compound: 2-{[4-(benzenesulfonyl)-2-(furan-2-yl)-1,3-oxazol-5-yl]sulfanyl}-1-(4-chlorophenyl)ethan-1-one
C176-0368 Screening compound: 2-{[4-(benzenesulfonyl)-2-(furan-2-yl)-1,3-oxazol-5-yl]sulfanyl}-1-(4-chlorophenyl)ethan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound C176-0368
2-{[4-(benzenesulfonyl)-2-(furan-2-yl)-1,3-oxazol-5-yl]sulfanyl}-1-(4-chlorophenyl)ethan-1-one

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

C176-0368

Molecular Formula

C21H14ClNO5S2 (C21 H14 ClNO5 S2)

Compound Name

2-{[4-(benzenesulfonyl)-2-(furan-2-yl)-1,3-oxazol-5-yl]sulfanyl}-1-(4-chlorophenyl)ethan-1-one

IUPAC name

2-{[4-(benzenesulfonyl)-2-(furan-2-yl)-13-oxazol-5-yl]sulfanyl}-1-(4-chlorophenyl)ethan-1-one

SMILES

O=C(CSc(oc(-c1ccco1)n1)c1S(c1ccccc1)(=O)=O)c(cc1)ccc1Cl

InChI

InChI=1S/C21H14ClNO5S2/c22-15-10-8-14(9-11-15)17(24)13-29-21-20(23-19(28-21)18-7-4-12-27-18)30(25,26)16-5-2-1-3-6-16/h1-12H,13H2

InChI Key

UOBPZSWAWHNEMR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04459730

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

459.93

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.807

Distribution Coefficient, logD

4.807

Water Solubility, LogSw

-5.13

Polar Surface Area

69.494

Acid Dissociation Constant (pKa)

20.87

Base Dissociation Constant (pKb)

-9.57

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

4.80

C176-0368 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D

References: we are preparing a list of scientific research reports with C176-0368 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C176-0368?
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What is the minimum amount of C176-0368 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C176-0368
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C176-0368
  • 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 C176-0368 available by request