4523-0032 Screening compound: methyl 4-(4-bromophenyl)-3H,3aH,4H,5H,9bH-cyclopenta[c]quinoline-6-carboxylate

4523-0032 Screening compound: methyl 4-(4-bromophenyl)-3H,3aH,4H,5H,9bH-cyclopenta[c]quinoline-6-carboxylate
4523-0032 Screening compound: methyl 4-(4-bromophenyl)-3H,3aH,4H,5H,9bH-cyclopenta[c]quinoline-6-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 4523-0032
methyl 4-(4-bromophenyl)-3H,3aH,4H,5H,9bH-cyclopenta[c]quinoline-6-carboxylate

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

4523-0032

Molecular Formula

C20H18BrNO2 (C20 H18 BrNO2)

Compound Name

methyl 4-(4-bromophenyl)-3H,3aH,4H,5H,9bH-cyclopenta[c]quinoline-6-carboxylate

IUPAC name

methyl 4-(4-bromophenyl)-3H3aH4H5H9bH-cyclopenta[c]quinoline-6-carboxylate

SMILES

COC(c(cccc1C2C=CCC22)c1NC2c(cc1)ccc1Br)=O

InChI

InChI=1S/C20H18BrNO2/c1-24-20(23)17-7-3-6-16-14-4-2-5-15(14)18(22-19(16)17)12-8-10-13(21)11-9-12/h2-4,6-11,14-15,18,22H,5H2,1H3

InChI Key

JZVFWTCSLRHXSS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02226274

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

384.27

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

5.106

Distribution Coefficient, logD

5.106

Water Solubility, LogSw

-5.11

Polar Surface Area

31.243

Acid Dissociation Constant (pKa)

15.37

Base Dissociation Constant (pKb)

-3.65

Number of Chiral Centers

3.00

Percent sp3 carbon bonding

25.00

4523-0032 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 compounds)

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

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with 4523-0032 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4523-0032?
Check Price and Availability of 4523-0032, 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 4523-0032 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4523-0032
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4523-0032
  • 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 4523-0032 available by request