C598-0494 Screening compound: 9-chloro-N-(5-chloro-2-methoxyphenyl)-N-methyl-5,6,7,8-tetrahydroacridine-3-carboxamide

C598-0494 Screening compound: 9-chloro-N-(5-chloro-2-methoxyphenyl)-N-methyl-5,6,7,8-tetrahydroacridine-3-carboxamide
C598-0494 Screening compound: 9-chloro-N-(5-chloro-2-methoxyphenyl)-N-methyl-5,6,7,8-tetrahydroacridine-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C598-0494
9-chloro-N-(5-chloro-2-methoxyphenyl)-N-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

C598-0494

Molecular Formula

C22H20Cl2N2O2 (C22 H20 Cl2 N2 O2)

Compound Name

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

IUPAC name

9-chloro-N-(5-chloro-2-methoxyphenyl)-N-methyl-5678-tetrahydroacridine-3-carboxamide

SMILES

CN(C(c1ccc2c(Cl)c(CCCC3)c3nc2c1)=O)c(cc(cc1)Cl)c1OC

InChI

InChI=1S/C22H20Cl2N2O2/c1-26(19-12-14(23)8-10-20(19)28-2)22(27)13-7-9-16-18(11-13)25-17-6-4-3-5-15(17)21(16)24/h7-12H,3-6H2,1-2H3

InChI Key

LPTBPQKVGUOQGL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14774806

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

415.32

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

5.591

Distribution Coefficient, logD

5.581

Water Solubility, LogSw

-6.02

Polar Surface Area

32.689

Acid Dissociation Constant (pKa)

21.73

Base Dissociation Constant (pKb)

5.77

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

27.30

C598-0494 in Drug Discovery

Included in Screening Libraries

CNS Targets (44014 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system

References: we are preparing a list of scientific research reports with C598-0494 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C598-0494?
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What is the minimum amount of C598-0494 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C598-0494
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C598-0494
  • 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 C598-0494 available by request