C176-0017 Screening compound: 2-{[4-(benzenesulfonyl)-2-phenyl-1,3-oxazol-5-yl]sulfanyl}-1-phenylethan-1-one

C176-0017 Screening compound: 2-{[4-(benzenesulfonyl)-2-phenyl-1,3-oxazol-5-yl]sulfanyl}-1-phenylethan-1-one
C176-0017 Screening compound: 2-{[4-(benzenesulfonyl)-2-phenyl-1,3-oxazol-5-yl]sulfanyl}-1-phenylethan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound C176-0017
2-{[4-(benzenesulfonyl)-2-phenyl-1,3-oxazol-5-yl]sulfanyl}-1-phenylethan-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

C176-0017

Molecular Formula

C23H17NO4S2 (C23 H17 NO4 S2)

Compound Name

2-{[4-(benzenesulfonyl)-2-phenyl-1,3-oxazol-5-yl]sulfanyl}-1-phenylethan-1-one

IUPAC name

2-{[4-(benzenesulfonyl)-2-phenyl-13-oxazol-5-yl]sulfanyl}-1-phenylethan-1-one

SMILES

O=C(CSc(oc(-c1ccccc1)n1)c1S(c1ccccc1)(=O)=O)c1ccccc1

InChI

InChI=1S/C23H17NO4S2/c25-20(17-10-4-1-5-11-17)16-29-23-22(30(26,27)19-14-8-3-9-15-19)24-21(28-23)18-12-6-2-7-13-18/h1-15H,16H2

InChI Key

QDFFHIGGEACNEW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04459395

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

435.52

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.899

Distribution Coefficient, logD

4.899

Water Solubility, LogSw

-4.95

Polar Surface Area

60.915

Acid Dissociation Constant (pKa)

21.26

Base Dissociation Constant (pKb)

-9.66

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

4.30

C176-0017 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Antiviral Annotated Library (21441 compounds)

Human Proteases Annotated Library (2868 compounds)

Selective Target Activity Profiling Library (14702 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 C176-0017 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C176-0017?
Check Price and Availability of C176-0017, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of C176-0017 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C176-0017
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C176-0017
  • 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 C176-0017 available by request