C094-1932 Screening compound: N-[1-(cyclohexylcarbamoyl)cyclohexyl]-N-[(furan-2-yl)methyl]-2H-1,3-benzodioxole-5-carboxamide

C094-1932 Screening compound: N-[1-(cyclohexylcarbamoyl)cyclohexyl]-N-[(furan-2-yl)methyl]-2H-1,3-benzodioxole-5-carboxamide
C094-1932 Screening compound: N-[1-(cyclohexylcarbamoyl)cyclohexyl]-N-[(furan-2-yl)methyl]-2H-1,3-benzodioxole-5-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C094-1932
N-[1-(cyclohexylcarbamoyl)cyclohexyl]-N-[(furan-2-yl)methyl]-2H-1,3-benzodioxole-5-carboxamide

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

C094-1932

Molecular Formula

C26H32N2O5 (C26 H32 N2 O5)

Compound Name

N-[1-(cyclohexylcarbamoyl)cyclohexyl]-N-[(furan-2-yl)methyl]-2H-1,3-benzodioxole-5-carboxamide

IUPAC name

N-[1-(cyclohexylcarbamoyl)cyclohexyl]-N-[(furan-2-yl)methyl]-2H-13-benzodioxole-5-carboxamide

SMILES

O=C(C1(CCCCC1)N(Cc1ccco1)C(c(cc1)cc2c1OCO2)=O)NC1CCCCC1

InChI

InChI=1S/C26H32N2O5/c29-24(19-11-12-22-23(16-19)33-18-32-22)28(17-21-10-7-15-31-21)26(13-5-2-6-14-26)25(30)27-20-8-3-1-4-9-20/h7,10-12,15-16,20H,1-6,8-9,13-14,17-18H2,(H,27,30)

InChI Key

UURBRZKJWCTBHS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03828738

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

452.55

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.165

Distribution Coefficient, logD

5.165

Water Solubility, LogSw

-5.36

Polar Surface Area

64.409

Acid Dissociation Constant (pKa)

14.84

Base Dissociation Constant (pKb)

2.03

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

53.80

C094-1932 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

SH2 Library (10483 compounds)

Voltage-Gated Ion Channel-Targeted Library (4740 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:
  • Cancer
  • Endocrine
  • Nervous system
Mechanism of action:
  • PPI modulators
Targets:
  • Ion Channels

References: we are preparing a list of scientific research reports with C094-1932 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C094-1932?
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What is the minimum amount of C094-1932 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C094-1932
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C094-1932
  • 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 C094-1932 available by request