2945-0037 Screening compound: ethyl 4-(2-fluorophenyl)-3H,3aH,4H,5H,9bH-cyclopenta[c]quinoline-8-carboxylate

2945-0037 Screening compound: ethyl 4-(2-fluorophenyl)-3H,3aH,4H,5H,9bH-cyclopenta[c]quinoline-8-carboxylate
2945-0037 Screening compound: ethyl 4-(2-fluorophenyl)-3H,3aH,4H,5H,9bH-cyclopenta[c]quinoline-8-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 2945-0037
ethyl 4-(2-fluorophenyl)-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

2945-0037

Molecular Formula

C21H20FNO2 (C21 H20 FNO2)

Compound Name

ethyl 4-(2-fluorophenyl)-3H,3aH,4H,5H,9bH-cyclopenta[c]quinoline-8-carboxylate

IUPAC name

ethyl 4-(2-fluorophenyl)-3H3aH4H5H9bH-cyclopenta[c]quinoline-8-carboxylate

SMILES

CCOC(c(cc1)cc(C2C=CCC22)c1NC2c(cccc1)c1F)=O

InChI

InChI=1S/C21H20FNO2/c1-2-25-21(24)13-10-11-19-17(12-13)14-7-5-8-15(14)20(23-19)16-6-3-4-9-18(16)22/h3-7,9-12,14-15,20,23H,2,8H2,1H3

InChI Key

JUYCHQWVDSKDAZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01892203

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

337.39

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

5.581

Distribution Coefficient, logD

5.581

Water Solubility, LogSw

-5.51

Polar Surface Area

33.075

Acid Dissociation Constant (pKa)

16.95

Base Dissociation Constant (pKb)

-3.13

Number of Chiral Centers

3.00

Percent sp3 carbon bonding

28.60

2945-0037 in Drug Discovery

Included in Screening Libraries

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 2945-0037 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2945-0037?
Check Price and Availability of 2945-0037, 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 2945-0037 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2945-0037
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2945-0037
  • 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 2945-0037 available by request