5586-4806 Screening compound: (2E)-N-{1H,2H,3H,5H,6H,7H,8H-cyclopenta[b]quinolin-9-yl}-3-(3,4-dimethoxyphenyl)prop-2-enamide

5586-4806 Screening compound: (2E)-N-{1H,2H,3H,5H,6H,7H,8H-cyclopenta[b]quinolin-9-yl}-3-(3,4-dimethoxyphenyl)prop-2-enamide
5586-4806 Screening compound: (2E)-N-{1H,2H,3H,5H,6H,7H,8H-cyclopenta[b]quinolin-9-yl}-3-(3,4-dimethoxyphenyl)prop-2-enamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 5586-4806
(2E)-N-{1H,2H,3H,5H,6H,7H,8H-cyclopenta[b]quinolin-9-yl}-3-(3,4-dimethoxyphenyl)prop-2-enamide

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

5586-4806

Molecular Formula

C23H26N2O3 (C23 H26 N2 O3)

Compound Name

(2E)-N-{1H,2H,3H,5H,6H,7H,8H-cyclopenta[b]quinolin-9-yl}-3-(3,4-dimethoxyphenyl)prop-2-enamide

IUPAC name

(2E)-N-{1H2H3H5H6H7H8H-cyclopenta[b]quinolin-9-yl}-3-(34-dimethoxyphenyl)prop-2-enamide

SMILES

COc(ccc(/C=C/C(Nc1c(CCCC2)c2nc2c1CCC2)=O)c1)c1OC

InChI

InChI=1S/C23H26N2O3/c1-27-20-12-10-15(14-21(20)28-2)11-13-22(26)25-23-16-6-3-4-8-18(16)24-19-9-5-7-17(19)23/h10-14H,3-9H2,1-2H3,(H,24,25,26)

InChI Key

VVOWWYGDFTWLDE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00352572

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

378.47

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.241

Distribution Coefficient, logD

2.303

Water Solubility, LogSw

-4.40

Polar Surface Area

48.806

Acid Dissociation Constant (pKa)

11.95

Base Dissociation Constant (pKb)

9.33

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

39.10

5586-4806 in Drug Discovery

Included in Screening Libraries

Antimitotic Tubulin Library (17355 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Male
  • Female
  • Hemic and lymphatic
  • Skin

References: we are preparing a list of scientific research reports with 5586-4806 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5586-4806?
Check Price and Availability of 5586-4806, 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 5586-4806 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5586-4806
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5586-4806
  • 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 5586-4806 available by request