4103-0006 Screening compound: 4-(3-nitrophenyl)-3H,3aH,4H,5H,9bH-cyclopenta[c]quinoline-8-carboxylic acid

4103-0006 Screening compound: 4-(3-nitrophenyl)-3H,3aH,4H,5H,9bH-cyclopenta[c]quinoline-8-carboxylic acid
4103-0006 Screening compound: 4-(3-nitrophenyl)-3H,3aH,4H,5H,9bH-cyclopenta[c]quinoline-8-carboxylic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 4103-0006
4-(3-nitrophenyl)-3H,3aH,4H,5H,9bH-cyclopenta[c]quinoline-8-carboxylic acid

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

4103-0006

Molecular Formula

C19H16N2O4 (C19 H16 N2 O4)

Compound Name

4-(3-nitrophenyl)-3H,3aH,4H,5H,9bH-cyclopenta[c]quinoline-8-carboxylic acid

IUPAC name

4-(3-nitrophenyl)-3H3aH4H5H9bH-cyclopenta[c]quinoline-8-carboxylic acid

SMILES

[O-][N+](c1cc(C(C2C3C=CC2)Nc(cc2)c3cc2C(O)=O)ccc1)=O

InChI

InChI=1S/C19H16N2O4/c22-19(23)12-7-8-17-16(10-12)14-5-2-6-15(14)18(20-17)11-3-1-4-13(9-11)21(24)25/h1-5,7-10,14-15,18,20H,6H2,(H,22,23)

InChI Key

LHSUTBGPVJHKPC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00700919

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

336.35

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.660

Distribution Coefficient, logD

3.035

Water Solubility, LogSw

-4.58

Polar Surface Area

74.111

Acid Dissociation Constant (pKa)

5.79

Base Dissociation Constant (pKb)

-4.27

Number of Chiral Centers

3.00

Percent sp3 carbon bonding

21.10

4103-0006 in Drug Discovery

Included in Screening Libraries

Human Receptors Annotated Library (5376 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 4103-0006 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4103-0006?
Check Price and Availability of 4103-0006, 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 4103-0006 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4103-0006
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4103-0006
  • 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 4103-0006 available by request