C799-0336 Screening compound: N-(2,3-dimethylcyclohexyl)-5-{[(4-methylphenyl)methanesulfinyl]methyl}furan-2-carboxamide

C799-0336 Screening compound: N-(2,3-dimethylcyclohexyl)-5-{[(4-methylphenyl)methanesulfinyl]methyl}furan-2-carboxamide
C799-0336 Screening compound: N-(2,3-dimethylcyclohexyl)-5-{[(4-methylphenyl)methanesulfinyl]methyl}furan-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C799-0336
N-(2,3-dimethylcyclohexyl)-5-{[(4-methylphenyl)methanesulfinyl]methyl}furan-2-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

C799-0336

Molecular Formula

C22H29NO3S (C22 H29 NO3 S)

Compound Name

N-(2,3-dimethylcyclohexyl)-5-{[(4-methylphenyl)methanesulfinyl]methyl}furan-2-carboxamide

IUPAC name

N-(23-dimethylcyclohexyl)-5-{[(4-methylphenyl)methanesulfinyl]methyl}furan-2-carboxamide

SMILES

CC(CCC1)C(C)C1NC(c1ccc(CS(Cc2ccc(C)cc2)=O)o1)=O

InChI

InChI=1S/C22H31NO3S/c1-15-7-9-18(10-8-15)13-27(25)14-19-11-12-21(26-19)22(24)23-20-6-4-5-16(2)17(20)3/h7-12,16-17,20H,4-6,13-14,27H2,1-3H3,(H,23,24)

InChI Key

GEQTVXNQOJFURV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14799461

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

387.54

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

3.811

Distribution Coefficient, logD

3.811

Water Solubility, LogSw

-3.83

Polar Surface Area

47.381

Acid Dissociation Constant (pKa)

14.54

Base Dissociation Constant (pKb)

0.17

Number of Chiral Centers

3.00

Percent sp3 carbon bonding

50.00

C799-0336 in Drug Discovery

Included in Screening Libraries

GABA Library (7115 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Eye
Targets:
  • GPCR
  • Ion Channels
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with C799-0336 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C799-0336?
Check Price and Availability of C799-0336, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of C799-0336 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C799-0336
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C799-0336
  • 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 C799-0336 available by request