C518-0198 Screening compound: 3-[(6-chloro-1,2,3,4-tetrahydroacridin-9-yl)amino]benzonitrile

C518-0198 Screening compound: 3-[(6-chloro-1,2,3,4-tetrahydroacridin-9-yl)amino]benzonitrile
C518-0198 Screening compound: 3-[(6-chloro-1,2,3,4-tetrahydroacridin-9-yl)amino]benzonitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound C518-0198
3-[(6-chloro-1,2,3,4-tetrahydroacridin-9-yl)amino]benzonitrile

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

C518-0198

Molecular Formula

C20H16ClN3 (C20 H16 ClN3)

Compound Name

3-[(6-chloro-1,2,3,4-tetrahydroacridin-9-yl)amino]benzonitrile

IUPAC name

3-[(6-chloro-1234-tetrahydroacridin-9-yl)amino]benzonitrile

SMILES

N#Cc1cccc(Nc2c(ccc(Cl)c3)c3nc3c2CCCC3)c1

InChI

InChI=1S/C20H16ClN3/c21-14-8-9-17-19(11-14)24-18-7-2-1-6-16(18)20(17)23-15-5-3-4-13(10-15)12-22/h3-5,8-11H,1-2,6-7H2,(H,23,24)

InChI Key

UFUMKUGLZFQGRX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14764214

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

333.82

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

5.641

Distribution Coefficient, logD

3.367

Water Solubility, LogSw

-6.25

Polar Surface Area

34.564

Acid Dissociation Constant (pKa)

15.86

Base Dissociation Constant (pKb)

9.67

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.00

C518-0198 in Drug Discovery

Included in Screening Libraries

Anti-infective Library (19449 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal

References: we are preparing a list of scientific research reports with C518-0198 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C518-0198?
Check Price and Availability of C518-0198, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of C518-0198 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C518-0198
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C518-0198
  • 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 C518-0198 available by request