C598-0518 Screening compound: 9-chloro-6-{4-[3-(trifluoromethyl)phenyl]piperazine-1-carbonyl}-1,2,3,4-tetrahydroacridine

C598-0518 Screening compound: 9-chloro-6-{4-[3-(trifluoromethyl)phenyl]piperazine-1-carbonyl}-1,2,3,4-tetrahydroacridine
C598-0518 Screening compound: 9-chloro-6-{4-[3-(trifluoromethyl)phenyl]piperazine-1-carbonyl}-1,2,3,4-tetrahydroacridine alternative view

Chemical Structure Depiction of ChemDiv screening compound C598-0518
9-chloro-6-{4-[3-(trifluoromethyl)phenyl]piperazine-1-carbonyl}-1,2,3,4-tetrahydroacridine

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

C598-0518

Molecular Formula

C25H23ClF3N3O (C25 H23 ClF3 N3 O)

Compound Name

9-chloro-6-{4-[3-(trifluoromethyl)phenyl]piperazine-1-carbonyl}-1,2,3,4-tetrahydroacridine

IUPAC name

9-chloro-6-{4-[3-(trifluoromethyl)phenyl]piperazine-1-carbonyl}-1234-tetrahydroacridine

SMILES

O=C(c1ccc2c(Cl)c(CCCC3)c3nc2c1)N(CC1)CCN1c1cc(C(F)(F)F)ccc1

InChI

InChI=1S/C25H23ClF3N3O/c26-23-19-6-1-2-7-21(19)30-22-14-16(8-9-20(22)23)24(33)32-12-10-31(11-13-32)18-5-3-4-17(15-18)25(27,28)29/h3-5,8-9,14-15H,1-2,6-7,10-13H2

InChI Key

WOHUJBISCRGIRW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14774829

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

473.93

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

5.867

Distribution Coefficient, logD

5.670

Water Solubility, LogSw

-6.41

Polar Surface Area

29.899

Acid Dissociation Constant (pKa)

21.73

Base Dissociation Constant (pKb)

7.16

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

36.00

C598-0518 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Human Transcription Factors Annotated Library (5098 compounds)

Selective Target Activity Profiling Library (14702 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D

References: we are preparing a list of scientific research reports with C598-0518 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C598-0518?
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What is the minimum amount of C598-0518 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C598-0518
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C598-0518
  • 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 C598-0518 available by request