C498-0972 Screening compound: N-cyclohexyl-N-methyl-2-(1,2,3,4-tetrahydroacridin-9-ylsulfanyl)acetamide

C498-0972 Screening compound: N-cyclohexyl-N-methyl-2-(1,2,3,4-tetrahydroacridin-9-ylsulfanyl)acetamide
C498-0972 Screening compound: N-cyclohexyl-N-methyl-2-(1,2,3,4-tetrahydroacridin-9-ylsulfanyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C498-0972
N-cyclohexyl-N-methyl-2-(1,2,3,4-tetrahydroacridin-9-ylsulfanyl)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

C498-0972

Molecular Formula

C22H28N2OS (C22 H28 N2 OS)

Compound Name

N-cyclohexyl-N-methyl-2-(1,2,3,4-tetrahydroacridin-9-ylsulfanyl)acetamide

IUPAC name

N-cyclohexyl-N-methyl-2-(1234-tetrahydroacridin-9-ylsulfanyl)acetamide

SMILES

CN(C1CCCCC1)C(CSc1c(CCCC2)c2nc2ccccc12)=O

InChI

InChI=1S/C22H28N2OS/c1-24(16-9-3-2-4-10-16)21(25)15-26-22-17-11-5-7-13-19(17)23-20-14-8-6-12-18(20)22/h5,7,11,13,16H,2-4,6,8-10,12,14-15H2,1H3

InChI Key

JSDFSAJENUTESK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14762321

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

368.54

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

4.951

Distribution Coefficient, logD

4.500

Water Solubility, LogSw

-4.76

Polar Surface Area

24.665

Acid Dissociation Constant (pKa)

21.73

Base Dissociation Constant (pKb)

7.66

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

54.50

C498-0972 in Drug Discovery

Included in Screening Libraries

Ion Channels Focused Library (26372 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Cardiovascular
Targets:
  • Ion Channels

References: we are preparing a list of scientific research reports with C498-0972 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C498-0972?
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What is the minimum amount of C498-0972 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C498-0972
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C498-0972
  • 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 C498-0972 available by request