C598-0557 Screening compound: 9-chloro-N-[(4-methylphenyl)methyl]-5,6,7,8-tetrahydroacridine-3-carboxamide

C598-0557 Screening compound: 9-chloro-N-[(4-methylphenyl)methyl]-5,6,7,8-tetrahydroacridine-3-carboxamide
C598-0557 Screening compound: 9-chloro-N-[(4-methylphenyl)methyl]-5,6,7,8-tetrahydroacridine-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C598-0557
9-chloro-N-[(4-methylphenyl)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

C598-0557

Molecular Formula

C22H21ClN2O (C22 H21 ClN2 O)

Compound Name

9-chloro-N-[(4-methylphenyl)methyl]-5,6,7,8-tetrahydroacridine-3-carboxamide

IUPAC name

9-chloro-N-[(4-methylphenyl)methyl]-5678-tetrahydroacridine-3-carboxamide

SMILES

Cc1ccc(CNC(c2ccc3c(Cl)c(CCCC4)c4nc3c2)=O)cc1

InChI

InChI=1S/C22H21ClN2O/c1-14-6-8-15(9-7-14)13-24-22(26)16-10-11-18-20(12-16)25-19-5-3-2-4-17(19)21(18)23/h6-12H,2-5,13H2,1H3,(H,24,26)

InChI Key

FRHAGUMWFFTPCU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14774860

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

364.87

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

5.524

Distribution Coefficient, logD

5.481

Water Solubility, LogSw

-5.96

Polar Surface Area

34.404

Acid Dissociation Constant (pKa)

11.63

Base Dissociation Constant (pKb)

6.41

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

27.30

C598-0557 in Drug Discovery

Included in Screening Libraries

Anti-infective Library (19449 compounds)

Anticancer Library (62698 compounds)

CNS BBB Library (22607 compounds)

CNS Targets (44014 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Ion Channels Focused Library (26372 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Cancer
  • Nervous system
  • Nervous system
  • Nervous system
  • Cardiovascular
Targets:
  • Ion Channels

References: we are preparing a list of scientific research reports with C598-0557 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C598-0557?
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What is the minimum amount of C598-0557 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C598-0557
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C598-0557
  • 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 C598-0557 available by request