5408-0899 Screening compound: 6-methoxy-4-(4-methoxy-3-nitrophenyl)-3H,3aH,4H,5H,9bH-cyclopenta[c]quinoline

5408-0899 Screening compound: 6-methoxy-4-(4-methoxy-3-nitrophenyl)-3H,3aH,4H,5H,9bH-cyclopenta[c]quinoline
5408-0899 Screening compound: 6-methoxy-4-(4-methoxy-3-nitrophenyl)-3H,3aH,4H,5H,9bH-cyclopenta[c]quinoline alternative view

Chemical Structure Depiction of ChemDiv screening compound 5408-0899
6-methoxy-4-(4-methoxy-3-nitrophenyl)-3H,3aH,4H,5H,9bH-cyclopenta[c]quinoline

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

5408-0899

Molecular Formula

C20H20N2O4 (C20 H20 N2 O4)

Compound Name

6-methoxy-4-(4-methoxy-3-nitrophenyl)-3H,3aH,4H,5H,9bH-cyclopenta[c]quinoline

IUPAC name

(3aS4R9bR)-6-methoxy-4-(4-methoxy-3-nitrophenyl)-3H3aH4H5H9bH-cyclopenta[c]quinoline

SMILES

COc(ccc([C@H]([C@H](CC=C1)[C@H]1c1ccc2)Nc1c2OC)c1)c1[N+]([O-])=O

InChI

InChI=1S/C20H20N2O4/c1-25-17-10-9-12(11-16(17)22(23)24)19-14-6-3-5-13(14)15-7-4-8-18(26-2)20(15)21-19/h3-5,7-11,13-14,19,21H,6H2,1-2H3/t13-,14-,19-/m1/s1

InChI Key

VODZFEUPYOEKCL-PJIJBLCYSA-N

MDL Number (MFCD)

MFCD03448924

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

352.39

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.826

Distribution Coefficient, logD

3.826

Water Solubility, LogSw

-4.08

Polar Surface Area

58.411

Acid Dissociation Constant (pKa)

16.95

Base Dissociation Constant (pKb)

-2.01

Number of Chiral Centers

3.00

Percent sp3 carbon bonding

30.00

5408-0899 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 5408-0899 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5408-0899?
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What is the minimum amount of 5408-0899 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5408-0899
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5408-0899
  • 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 5408-0899 available by request