C094-1796 Screening compound: N-cyclohexyl-2-methyl-2-[N-phenyl-2-(thiophen-2-yl)acetamido]butanamide

C094-1796 Screening compound: N-cyclohexyl-2-methyl-2-[N-phenyl-2-(thiophen-2-yl)acetamido]butanamide
C094-1796 Screening compound: N-cyclohexyl-2-methyl-2-[N-phenyl-2-(thiophen-2-yl)acetamido]butanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C094-1796
N-cyclohexyl-2-methyl-2-[N-phenyl-2-(thiophen-2-yl)acetamido]butanamide

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

C094-1796

Molecular Formula

C23H30N2O2S (C23 H30 N2 O2 S)

Compound Name

N-cyclohexyl-2-methyl-2-[N-phenyl-2-(thiophen-2-yl)acetamido]butanamide

IUPAC name

N-cyclohexyl-2-methyl-2-[N-phenyl-2-(thiophen-2-yl)acetamido]butanamide

SMILES

CCC(C)(C(NC1CCCCC1)=O)N(C(Cc1cccs1)=O)c1ccccc1

InChI

InChI=1S/C23H30N2O2S/c1-3-23(2,22(27)24-18-11-6-4-7-12-18)25(19-13-8-5-9-14-19)21(26)17-20-15-10-16-28-20/h5,8-10,13-16,18H,3-4,6-7,11-12,17H2,1-2H3,(H,24,27)/t23-/m0/s1

InChI Key

TUKAMVCXJFVPBW-QHCPKHFHSA-N

MDL Number (MFCD)

MFCD03828721

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

398.57

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.590

Distribution Coefficient, logD

4.590

Water Solubility, LogSw

-4.28

Polar Surface Area

39.910

Acid Dissociation Constant (pKa)

14.77

Base Dissociation Constant (pKb)

2.19

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

47.80

C094-1796 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

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

Cardiovascular Library (22201 compounds)

Selective Target Activity Profiling Library (14702 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

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

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Cardiovascular

References: we are preparing a list of scientific research reports with C094-1796 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C094-1796?
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What is the minimum amount of C094-1796 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C094-1796
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C094-1796
  • 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 C094-1796 available by request