1824-0104 Screening compound: ethyl 4-phenyl-3H,3aH,4H,5H,9bH-cyclopenta[c]quinoline-8-carboxylate

1824-0104 Screening compound: ethyl 4-phenyl-3H,3aH,4H,5H,9bH-cyclopenta[c]quinoline-8-carboxylate
1824-0104 Screening compound: ethyl 4-phenyl-3H,3aH,4H,5H,9bH-cyclopenta[c]quinoline-8-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 1824-0104
ethyl 4-phenyl-3H,3aH,4H,5H,9bH-cyclopenta[c]quinoline-8-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

1824-0104

Molecular Formula

C21H21NO2 (C21 H21 NO2)

Compound Name

ethyl 4-phenyl-3H,3aH,4H,5H,9bH-cyclopenta[c]quinoline-8-carboxylate

IUPAC name

ethyl 4-phenyl-3H3aH4H5H9bH-cyclopenta[c]quinoline-8-carboxylate

SMILES

CCOC(c(cc1)cc(C2C=CCC22)c1NC2c1ccccc1)=O

InChI

InChI=1S/C21H21NO2/c1-2-24-21(23)15-11-12-19-18(13-15)16-9-6-10-17(16)20(22-19)14-7-4-3-5-8-14/h3-9,11-13,16-17,20,22H,2,10H2,1H3

InChI Key

GSKKZQXPDXIHTN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00981528

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

319.4

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

5.480

Distribution Coefficient, logD

5.480

Water Solubility, LogSw

-5.55

Polar Surface Area

33.075

Acid Dissociation Constant (pKa)

16.95

Base Dissociation Constant (pKb)

-2.73

Number of Chiral Centers

3.00

Percent sp3 carbon bonding

28.60

1824-0104 in Drug Discovery

Included in Screening Libraries

Anti-infective Library (19449 compounds)

Frequent Hitters Library (7624 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
Structure:
  • Pool

References: we are preparing a list of scientific research reports with 1824-0104 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1824-0104?
Check Price and Availability of 1824-0104, 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 1824-0104 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1824-0104
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1824-0104
  • 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 1824-0104 available by request