C598-0392 Screening compound: 9-chloro-N-[(2-methoxyphenyl)methyl]-5,6,7,8-tetrahydroacridine-3-carboxamide

C598-0392 Screening compound: 9-chloro-N-[(2-methoxyphenyl)methyl]-5,6,7,8-tetrahydroacridine-3-carboxamide
C598-0392 Screening compound: 9-chloro-N-[(2-methoxyphenyl)methyl]-5,6,7,8-tetrahydroacridine-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C598-0392
9-chloro-N-[(2-methoxyphenyl)methyl]-5,6,7,8-tetrahydroacridine-3-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

C598-0392

Molecular Formula

C22H21ClN2O2 (C22 H21 ClN2 O2)

Compound Name

9-chloro-N-[(2-methoxyphenyl)methyl]-5,6,7,8-tetrahydroacridine-3-carboxamide

IUPAC name

9-chloro-N-[(2-methoxyphenyl)methyl]-5678-tetrahydroacridine-3-carboxamide

SMILES

COc1c(CNC(c2ccc3c(Cl)c(CCCC4)c4nc3c2)=O)cccc1

InChI

InChI=1S/C22H21ClN2O2/c1-27-20-9-5-2-6-15(20)13-24-22(26)14-10-11-17-19(12-14)25-18-8-4-3-7-16(18)21(17)23/h2,5-6,9-12H,3-4,7-8,13H2,1H3,(H,24,26)

InChI Key

NAJCOPGFRDHEEK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14774726

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

380.87

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

5.322

Distribution Coefficient, logD

5.279

Water Solubility, LogSw

-6.00

Polar Surface Area

42.034

Acid Dissociation Constant (pKa)

11.63

Base Dissociation Constant (pKb)

6.41

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

27.30

C598-0392 in Drug Discovery

Included in Screening Libraries

CNS Targets (44014 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Ion Channels Focused Library (26372 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with C598-0392 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C598-0392?
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What is the minimum amount of C598-0392 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C598-0392
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C598-0392
  • 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 C598-0392 available by request