C176-0390 Screening compound: 2-{[2-(furan-2-yl)-4-(4-methylbenzenesulfonyl)-1,3-oxazol-5-yl]sulfanyl}-1-phenylethan-1-one

C176-0390 Screening compound: 2-{[2-(furan-2-yl)-4-(4-methylbenzenesulfonyl)-1,3-oxazol-5-yl]sulfanyl}-1-phenylethan-1-one
C176-0390 Screening compound: 2-{[2-(furan-2-yl)-4-(4-methylbenzenesulfonyl)-1,3-oxazol-5-yl]sulfanyl}-1-phenylethan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound C176-0390
2-{[2-(furan-2-yl)-4-(4-methylbenzenesulfonyl)-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

C176-0390

Molecular Formula

C22H17NO5S2 (C22 H17 NO5 S2)

Compound Name

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

IUPAC name

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

SMILES

Cc(cc1)ccc1S(c(nc(-c1ccco1)o1)c1SCC(c1ccccc1)=O)(=O)=O

InChI

InChI=1S/C22H17NO5S2/c1-15-9-11-17(12-10-15)30(25,26)21-22(28-20(23-21)19-8-5-13-27-19)29-14-18(24)16-6-3-2-4-7-16/h2-13H,14H2,1H3

InChI Key

HYMYHQLTOPBYHN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04459752

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

439.51

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

4.716

Distribution Coefficient, logD

4.716

Water Solubility, LogSw

-4.47

Polar Surface Area

69.494

Acid Dissociation Constant (pKa)

21.26

Base Dissociation Constant (pKb)

-9.57

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

9.10

C176-0390 in Drug Discovery

Included in Screening Libraries

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

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with C176-0390 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C176-0390?
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What is the minimum amount of C176-0390 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C176-0390
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C176-0390
  • 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 C176-0390 available by request