4597-0012 Screening compound: 4-{6-benzoyl-8-chloro-3H,3aH,4H,5H,9bH-cyclopenta[c]quinolin-4-yl}phenyl acetate

4597-0012 Screening compound: 4-{6-benzoyl-8-chloro-3H,3aH,4H,5H,9bH-cyclopenta[c]quinolin-4-yl}phenyl acetate
4597-0012 Screening compound: 4-{6-benzoyl-8-chloro-3H,3aH,4H,5H,9bH-cyclopenta[c]quinolin-4-yl}phenyl acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound 4597-0012
4-{6-benzoyl-8-chloro-3H,3aH,4H,5H,9bH-cyclopenta[c]quinolin-4-yl}phenyl acetate

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

4597-0012

Molecular Formula

C27H22ClNO3 (C27 H22 ClNO3)

Compound Name

4-{6-benzoyl-8-chloro-3H,3aH,4H,5H,9bH-cyclopenta[c]quinolin-4-yl}phenyl acetate

IUPAC name

4-{6-benzoyl-8-chloro-3H3aH4H5H9bH-cyclopenta[c]quinolin-4-yl}phenyl acetate

SMILES

CC(Oc1ccc(C(C(CC=C2)C2c2cc(Cl)c3)Nc2c3C(c2ccccc2)=O)cc1)=O

InChI

InChI=1S/C27H22ClNO3/c1-16(30)32-20-12-10-17(11-13-20)25-22-9-5-8-21(22)23-14-19(28)15-24(26(23)29-25)27(31)18-6-3-2-4-7-18/h2-8,10-15,21-22,25,29H,9H2,1H3

InChI Key

SZTXVDPMMIVKNV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02149630

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

443.93

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

5.648

Distribution Coefficient, logD

5.648

Water Solubility, LogSw

-6.05

Polar Surface Area

44.287

Acid Dissociation Constant (pKa)

16.56

Base Dissociation Constant (pKb)

-4.54

Number of Chiral Centers

3.00

Percent sp3 carbon bonding

18.50

References: we are preparing a list of scientific research reports with 4597-0012 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4597-0012?
Check Price and Availability of 4597-0012, 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 4597-0012 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4597-0012
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4597-0012
  • 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 4597-0012 available by request