C598-0553 Screening compound: 9-chloro-N~3~-(1-methyl-3-phenylpropyl)-5,6,7,8-tetrahydro-3-acridinecarboxamide

C598-0553 Screening compound: 9-chloro-N~3~-(1-methyl-3-phenylpropyl)-5,6,7,8-tetrahydro-3-acridinecarboxamide
C598-0553 Screening compound: 9-chloro-N~3~-(1-methyl-3-phenylpropyl)-5,6,7,8-tetrahydro-3-acridinecarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C598-0553
9-chloro-N~3~-(1-methyl-3-phenylpropyl)-5,6,7,8-tetrahydro-3-acridinecarboxamide

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

C598-0553

Molecular Formula

C24H25ClN2O (C24 H25 ClN2 O)

Compound Name

9-chloro-N~3~-(1-methyl-3-phenylpropyl)-5,6,7,8-tetrahydro-3-acridinecarboxamide

IUPAC name

9-chloro-N-(4-phenylbutan-2-yl)-5678-tetrahydroacridine-3-carboxamide

SMILES

CC(CCc1ccccc1)NC(c1ccc2c(Cl)c(CCCC3)c3nc2c1)=O

InChI

InChI=1S/C24H25ClN2O/c1-16(11-12-17-7-3-2-4-8-17)26-24(28)18-13-14-20-22(15-18)27-21-10-6-5-9-19(21)23(20)25/h2-4,7-8,13-16H,5-6,9-12H2,1H3,(H,26,28)/t16-/m0/s1

InChI Key

NZTLXHRPVFBIPP-INIZCTEOSA-N

MDL Number (MFCD)

MFCD14774857

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

392.93

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

5.858

Distribution Coefficient, logD

5.816

Water Solubility, LogSw

-6.16

Polar Surface Area

33.845

Acid Dissociation Constant (pKa)

13.58

Base Dissociation Constant (pKb)

6.41

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

33.33

C598-0553 in Drug Discovery

Included in Screening Libraries

Anti-infective Library (19449 compounds)

Glucocorticoid receptors Library (4806 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Cancer
  • Nervous system
  • Hemic and lymphatic
  • Congenital
  • Metabolic
  • Endocrine
Targets:
  • Nuclear receptors
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with C598-0553 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C598-0553?
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What is the minimum amount of C598-0553 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C598-0553
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C598-0553
  • 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 C598-0553 available by request