C176-0181 Screening compound: N-cyclohexyl-2-{[2-(4-fluorophenyl)-4-(4-methylbenzenesulfonyl)-1,3-oxazol-5-yl]sulfanyl}acetamide

C176-0181 Screening compound: N-cyclohexyl-2-{[2-(4-fluorophenyl)-4-(4-methylbenzenesulfonyl)-1,3-oxazol-5-yl]sulfanyl}acetamide
C176-0181 Screening compound: N-cyclohexyl-2-{[2-(4-fluorophenyl)-4-(4-methylbenzenesulfonyl)-1,3-oxazol-5-yl]sulfanyl}acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C176-0181
N-cyclohexyl-2-{[2-(4-fluorophenyl)-4-(4-methylbenzenesulfonyl)-1,3-oxazol-5-yl]sulfanyl}acetamide

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

C176-0181

Molecular Formula

C24H25FN2O4S2 (C24 H25 FN2 O4 S2)

Compound Name

N-cyclohexyl-2-{[2-(4-fluorophenyl)-4-(4-methylbenzenesulfonyl)-1,3-oxazol-5-yl]sulfanyl}acetamide

IUPAC name

N-cyclohexyl-2-{[2-(4-fluorophenyl)-4-(4-methylbenzenesulfonyl)-13-oxazol-5-yl]sulfanyl}acetamide

SMILES

Cc(cc1)ccc1S(c(nc(-c(cc1)ccc1F)o1)c1SCC(NC1CCCCC1)=O)(=O)=O

InChI

InChI=1S/C24H25FN2O4S2/c1-16-7-13-20(14-8-16)33(29,30)23-24(31-22(27-23)17-9-11-18(25)12-10-17)32-15-21(28)26-19-5-3-2-4-6-19/h7-14,19H,2-6,15H2,1H3,(H,26,28)

InChI Key

OFPRZQMMZNVISN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04459542

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

488.6

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.515

Distribution Coefficient, logD

5.515

Water Solubility, LogSw

-5.23

Polar Surface Area

71.865

Acid Dissociation Constant (pKa)

15.68

Base Dissociation Constant (pKb)

4.82

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

C176-0181 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 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 C176-0181 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C176-0181?
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What is the minimum amount of C176-0181 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C176-0181
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C176-0181
  • 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 C176-0181 available by request