C507-0427 Screening compound: ethyl 3-({1H,2H,3H-cyclopenta[b]quinolin-9-yl}amino)benzoate

C507-0427 Screening compound: ethyl 3-({1H,2H,3H-cyclopenta[b]quinolin-9-yl}amino)benzoate
C507-0427 Screening compound: ethyl 3-({1H,2H,3H-cyclopenta[b]quinolin-9-yl}amino)benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound C507-0427
ethyl 3-({1H,2H,3H-cyclopenta[b]quinolin-9-yl}amino)benzoate

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

C507-0427

Molecular Formula

C21H20N2O2 (C21 H20 N2 O2)

Compound Name

ethyl 3-({1H,2H,3H-cyclopenta[b]quinolin-9-yl}amino)benzoate

IUPAC name

ethyl 3-({1H2H3H-cyclopenta[b]quinolin-9-yl}amino)benzoate

SMILES

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

InChI

InChI=1S/C21H20N2O2/c1-2-25-21(24)14-7-5-8-15(13-14)22-20-16-9-3-4-11-18(16)23-19-12-6-10-17(19)20/h3-5,7-9,11,13H,2,6,10,12H2,1H3,(H,22,23)

InChI Key

QSHFWHLHZGLAHR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14762639

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

332.4

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

5.145

Distribution Coefficient, logD

4.291

Water Solubility, LogSw

-5.32

Polar Surface Area

38.627

Acid Dissociation Constant (pKa)

16.97

Base Dissociation Constant (pKb)

8.19

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.80

C507-0427 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

CNS targets activity set (6557 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 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 C507-0427 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C507-0427?
Check Price and Availability of C507-0427, 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 C507-0427 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C507-0427
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C507-0427
  • 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 C507-0427 available by request