4491-1491 Screening compound: 1-[3-({1H,2H,3H-cyclopenta[b]quinolin-9-yl}amino)phenyl]ethan-1-one

4491-1491 Screening compound: 1-[3-({1H,2H,3H-cyclopenta[b]quinolin-9-yl}amino)phenyl]ethan-1-one
4491-1491 Screening compound: 1-[3-({1H,2H,3H-cyclopenta[b]quinolin-9-yl}amino)phenyl]ethan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 4491-1491
1-[3-({1H,2H,3H-cyclopenta[b]quinolin-9-yl}amino)phenyl]ethan-1-one

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

4491-1491

Molecular Formula

C20H18N2O (C20 H18 N2 O)

Compound Name

1-[3-({1H,2H,3H-cyclopenta[b]quinolin-9-yl}amino)phenyl]ethan-1-one

IUPAC name

1-[3-({1H2H3H-cyclopenta[b]quinolin-9-yl}amino)phenyl]ethan-1-one

SMILES

CC(c1cc(Nc2c(CCC3)c3nc3ccccc23)ccc1)=O

InChI

InChI=1S/C20H18N2O/c1-13(23)14-6-4-7-15(12-14)21-20-16-8-2-3-10-18(16)22-19-11-5-9-17(19)20/h2-4,6-8,10,12H,5,9,11H2,1H3,(H,21,22)

InChI Key

COFGHNNNKUCSMV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02109055

Chemical and Physical Properties

Saltdata

HCl

Molecular Weight

302.38

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

4.104

Distribution Coefficient, logD

3.250

Water Solubility, LogSw

-4.38

Polar Surface Area

31.700

Acid Dissociation Constant (pKa)

16.97

Base Dissociation Constant (pKb)

8.19

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.00

4491-1491 in Drug Discovery

Included in Screening Libraries

Antifungal Library (16415 compounds)

Antiviral Annotated Library (21441 compounds)

CNS BBB Library (22607 compounds)

CNS targets activity set (6557 compounds)

Human GPCR Annotated Library (5539 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with 4491-1491 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4491-1491?
Check Price and Availability of 4491-1491, 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 4491-1491 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4491-1491
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4491-1491
  • 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 4491-1491 available by request