5408-0775 Screening compound: ethyl 4-[4-(methoxycarbonyl)phenyl]-3H,3aH,4H,5H,9bH-cyclopenta[c]quinoline-8-carboxylate

5408-0775 Screening compound: ethyl 4-[4-(methoxycarbonyl)phenyl]-3H,3aH,4H,5H,9bH-cyclopenta[c]quinoline-8-carboxylate
5408-0775 Screening compound: ethyl 4-[4-(methoxycarbonyl)phenyl]-3H,3aH,4H,5H,9bH-cyclopenta[c]quinoline-8-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 5408-0775
ethyl 4-[4-(methoxycarbonyl)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

5408-0775

Molecular Formula

C23H23NO4 (C23 H23 NO4)

Compound Name

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

IUPAC name

ethyl (3aS4R9bR)-4-[4-(methoxycarbonyl)phenyl]-3H3aH4H5H9bH-cyclopenta[c]quinoline-8-carboxylate

SMILES

CCOC(c(cc1)cc([C@H]2C=CC[C@H]22)c1N[C@@H]2c(cc1)ccc1C(OC)=O)=O

InChI

InChI=1S/C23H23NO4/c1-3-28-23(26)16-11-12-20-19(13-16)17-5-4-6-18(17)21(24-20)14-7-9-15(10-8-14)22(25)27-2/h4-5,7-13,17-18,21,24H,3,6H2,1-2H3/t17-,18-,21-/m0/s1

InChI Key

MBTPSYGHODMTSU-WFXMLNOXSA-N

MDL Number (MFCD)

MFCD03448903

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

377.44

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.566

Distribution Coefficient, logD

5.566

Water Solubility, LogSw

-5.46

Polar Surface Area

54.249

Acid Dissociation Constant (pKa)

16.95

Base Dissociation Constant (pKb)

-3.31

Number of Chiral Centers

3.00

Percent sp3 carbon bonding

30.40

5408-0775 in Drug Discovery

Included in Screening Libraries

Anti-infective Library (19449 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal

References: we are preparing a list of scientific research reports with 5408-0775 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5408-0775?
Check Price and Availability of 5408-0775, 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 5408-0775 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5408-0775
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5408-0775
  • 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 5408-0775 available by request