C176-0161 Screening compound: 2-{[4-(benzenesulfonyl)-2-(4-fluorophenyl)-1,3-oxazol-5-yl]sulfanyl}-N-cyclohexylacetamide

C176-0161 Screening compound: 2-{[4-(benzenesulfonyl)-2-(4-fluorophenyl)-1,3-oxazol-5-yl]sulfanyl}-N-cyclohexylacetamide
C176-0161 Screening compound: 2-{[4-(benzenesulfonyl)-2-(4-fluorophenyl)-1,3-oxazol-5-yl]sulfanyl}-N-cyclohexylacetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C176-0161
2-{[4-(benzenesulfonyl)-2-(4-fluorophenyl)-1,3-oxazol-5-yl]sulfanyl}-N-cyclohexylacetamide

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

C176-0161

Molecular Formula

C23H23FN2O4S2 (C23 H23 FN2 O4 S2)

Compound Name

2-{[4-(benzenesulfonyl)-2-(4-fluorophenyl)-1,3-oxazol-5-yl]sulfanyl}-N-cyclohexylacetamide

IUPAC name

2-{[4-(benzenesulfonyl)-2-(4-fluorophenyl)-13-oxazol-5-yl]sulfanyl}-N-cyclohexylacetamide

SMILES

O=C(CSc(oc(-c(cc1)ccc1F)n1)c1S(c1ccccc1)(=O)=O)NC1CCCCC1

InChI

InChI=1S/C23H23FN2O4S2/c24-17-13-11-16(12-14-17)21-26-22(32(28,29)19-9-5-2-6-10-19)23(30-21)31-15-20(27)25-18-7-3-1-4-8-18/h2,5-6,9-14,18H,1,3-4,7-8,15H2,(H,25,27)

InChI Key

KBIQFWXITNNKNE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04459522

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

474.58

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

4.907

Distribution Coefficient, logD

4.907

Water Solubility, LogSw

-4.81

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

30.40

C176-0161 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Human Kinases Annotated Library (2415 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 C176-0161 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C176-0161?
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What is the minimum amount of C176-0161 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C176-0161
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C176-0161
  • 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 C176-0161 available by request