C598-0598 Screening compound: 9-chloro-N-(4-chlorophenyl)-5,6,7,8-tetrahydroacridine-3-carboxamide

C598-0598 Screening compound: 9-chloro-N-(4-chlorophenyl)-5,6,7,8-tetrahydroacridine-3-carboxamide
C598-0598 Screening compound: 9-chloro-N-(4-chlorophenyl)-5,6,7,8-tetrahydroacridine-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C598-0598
9-chloro-N-(4-chlorophenyl)-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

C598-0598

Molecular Formula

C20H16Cl2N2O (C20 H16 Cl2 N2 O)

Compound Name

9-chloro-N-(4-chlorophenyl)-5,6,7,8-tetrahydroacridine-3-carboxamide

IUPAC name

9-chloro-N-(4-chlorophenyl)-5678-tetrahydroacridine-3-carboxamide

SMILES

O=C(c1ccc2c(Cl)c(CCCC3)c3nc2c1)Nc(cc1)ccc1Cl

InChI

InChI=1S/C20H16Cl2N2O/c21-13-6-8-14(9-7-13)23-20(25)12-5-10-16-18(11-12)24-17-4-2-1-3-15(17)19(16)22/h5-11H,1-4H2,(H,23,25)

InChI Key

WQBBCIWAAWVRRY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14774887

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

371.27

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

6.029

Distribution Coefficient, logD

6.022

Water Solubility, LogSw

-6.46

Polar Surface Area

33.082

Acid Dissociation Constant (pKa)

9.34

Base Dissociation Constant (pKb)

5.02

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.00

C598-0598 in Drug Discovery

Included in Screening Libraries

?ysteine Targeted Covalent Library (39471 compounds)

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 C598-0598 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C598-0598?
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What is the minimum amount of C598-0598 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C598-0598
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C598-0598
  • 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 C598-0598 available by request