C598-0580 Screening compound: 9-chloro-N-[2-(3-methylphenyl)ethyl]-5,6,7,8-tetrahydroacridine-3-carboxamide

C598-0580 Screening compound: 9-chloro-N-[2-(3-methylphenyl)ethyl]-5,6,7,8-tetrahydroacridine-3-carboxamide
C598-0580 Screening compound: 9-chloro-N-[2-(3-methylphenyl)ethyl]-5,6,7,8-tetrahydroacridine-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C598-0580
9-chloro-N-[2-(3-methylphenyl)ethyl]-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

C598-0580

Molecular Formula

C23H23ClN2O (C23 H23 ClN2 O)

Compound Name

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

IUPAC name

9-chloro-N-[2-(3-methylphenyl)ethyl]-5678-tetrahydroacridine-3-carboxamide

SMILES

Cc1cccc(CCNC(c2ccc3c(Cl)c(CCCC4)c4nc3c2)=O)c1

InChI

InChI=1S/C23H23ClN2O/c1-15-5-4-6-16(13-15)11-12-25-23(27)17-9-10-19-21(14-17)26-20-8-3-2-7-18(20)22(19)24/h4-6,9-10,13-14H,2-3,7-8,11-12H2,1H3,(H,25,27)

InChI Key

HARLFWYCZBZNMJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14774874

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

378.9

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

5.624

Distribution Coefficient, logD

5.582

Water Solubility, LogSw

-5.99

Polar Surface Area

34.245

Acid Dissociation Constant (pKa)

13.00

Base Dissociation Constant (pKb)

6.41

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

30.40

C598-0580 in Drug Discovery

Included in Screening Libraries

Anti-infective Library (19449 compounds)

Anticancer Library (62698 compounds)

CNS Targets (44014 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Cancer
  • Nervous system

References: we are preparing a list of scientific research reports with C598-0580 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C598-0580?
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What is the minimum amount of C598-0580 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C598-0580
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C598-0580
  • 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 C598-0580 available by request