4597-0405 Screening compound: 8-methyl-4-(2-nitrophenyl)-3H,3aH,4H,5H,9bH-cyclopenta[c]quinoline

4597-0405 Screening compound: 8-methyl-4-(2-nitrophenyl)-3H,3aH,4H,5H,9bH-cyclopenta[c]quinoline
4597-0405 Screening compound: 8-methyl-4-(2-nitrophenyl)-3H,3aH,4H,5H,9bH-cyclopenta[c]quinoline alternative view

Chemical Structure Depiction of ChemDiv screening compound 4597-0405
8-methyl-4-(2-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

4597-0405

Molecular Formula

C19H18N2O2 (C19 H18 N2 O2)

Compound Name

8-methyl-4-(2-nitrophenyl)-3H,3aH,4H,5H,9bH-cyclopenta[c]quinoline

IUPAC name

8-methyl-4-(2-nitrophenyl)-3H3aH4H5H9bH-cyclopenta[c]quinoline

SMILES

Cc(cc1)cc(C2C=CCC22)c1NC2c(cccc1)c1[N+]([O-])=O

InChI

InChI=1S/C19H18N2O2/c1-12-9-10-17-16(11-12)13-6-4-7-14(13)19(20-17)15-5-2-3-8-18(15)21(22)23/h2-6,8-11,13-14,19-20H,7H2,1H3

InChI Key

DDTLBMYOQHHJEK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01816972

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

306.36

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.907

Distribution Coefficient, logD

4.907

Water Solubility, LogSw

-4.76

Polar Surface Area

45.402

Acid Dissociation Constant (pKa)

16.95

Base Dissociation Constant (pKb)

-0.53

Number of Chiral Centers

3.00

Percent sp3 carbon bonding

26.30

4597-0405 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system

References: we are preparing a list of scientific research reports with 4597-0405 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4597-0405?
Check Price and Availability of 4597-0405, 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 4597-0405 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4597-0405
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4597-0405
  • 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 4597-0405 available by request