2448-0067 Screening compound: 1-[4-(2-nitrophenyl)-3H,3aH,4H,5H,9bH-cyclopenta[c]quinolin-8-yl]ethan-1-one

2448-0067 Screening compound: 1-[4-(2-nitrophenyl)-3H,3aH,4H,5H,9bH-cyclopenta[c]quinolin-8-yl]ethan-1-one
2448-0067 Screening compound: 1-[4-(2-nitrophenyl)-3H,3aH,4H,5H,9bH-cyclopenta[c]quinolin-8-yl]ethan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 2448-0067
1-[4-(2-nitrophenyl)-3H,3aH,4H,5H,9bH-cyclopenta[c]quinolin-8-yl]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

2448-0067

Molecular Formula

C20H18N2O3 (C20 H18 N2 O3)

Compound Name

1-[4-(2-nitrophenyl)-3H,3aH,4H,5H,9bH-cyclopenta[c]quinolin-8-yl]ethan-1-one

IUPAC name

1-[4-(2-nitrophenyl)-3H3aH4H5H9bH-cyclopenta[c]quinolin-8-yl]ethan-1-one

SMILES

CC(c(cc1)cc(C2C=CCC22)c1NC2c(cccc1)c1[N+]([O-])=O)=O

InChI

InChI=1S/C20H18N2O3/c1-12(23)13-9-10-18-17(11-13)14-6-4-7-15(14)20(21-18)16-5-2-3-8-19(16)22(24)25/h2-6,8-11,14-15,20-21H,7H2,1H3

InChI Key

LBEMODQQJGACLE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01816969

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

334.37

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.223

Distribution Coefficient, logD

4.223

Water Solubility, LogSw

-4.48

Polar Surface Area

59.229

Acid Dissociation Constant (pKa)

16.95

Base Dissociation Constant (pKb)

-3.46

Number of Chiral Centers

3.00

Percent sp3 carbon bonding

25.00

2448-0067 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system

References: we are preparing a list of scientific research reports with 2448-0067 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2448-0067?
Check Price and Availability of 2448-0067, 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 2448-0067 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2448-0067
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2448-0067
  • 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 2448-0067 available by request