3039-0279 Screening compound: 4-(2-bromophenyl)-8-ethoxy-6-nitro-3H,3aH,4H,5H,9bH-cyclopenta[c]quinoline

3039-0279 Screening compound: 4-(2-bromophenyl)-8-ethoxy-6-nitro-3H,3aH,4H,5H,9bH-cyclopenta[c]quinoline
3039-0279 Screening compound: 4-(2-bromophenyl)-8-ethoxy-6-nitro-3H,3aH,4H,5H,9bH-cyclopenta[c]quinoline alternative view

Chemical Structure Depiction of ChemDiv screening compound 3039-0279
4-(2-bromophenyl)-8-ethoxy-6-nitro-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

3039-0279

Molecular Formula

C20H19BrN2O3 (C20 H19 BrN2 O3)

Compound Name

4-(2-bromophenyl)-8-ethoxy-6-nitro-3H,3aH,4H,5H,9bH-cyclopenta[c]quinoline

IUPAC name

4-(2-bromophenyl)-8-ethoxy-6-nitro-3H3aH4H5H9bH-cyclopenta[c]quinoline

SMILES

CCOc(cc1C2C=CCC22)cc([N+]([O-])=O)c1NC2c(cccc1)c1Br

InChI

InChI=1S/C20H19BrN2O3/c1-2-26-12-10-16-13-7-5-8-14(13)19(15-6-3-4-9-17(15)21)22-20(16)18(11-12)23(24)25/h3-7,9-11,13-14,19,22H,2,8H2,1H3

InChI Key

VUQBUKWYEPSWLI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01816364

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

415.29

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.541

Distribution Coefficient, logD

5.541

Water Solubility, LogSw

-5.47

Polar Surface Area

50.274

Acid Dissociation Constant (pKa)

15.52

Base Dissociation Constant (pKb)

-5.11

Number of Chiral Centers

3.00

Percent sp3 carbon bonding

30.00

References: we are preparing a list of scientific research reports with 3039-0279 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3039-0279?
Check Price and Availability of 3039-0279, 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 3039-0279 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3039-0279
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3039-0279
  • 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 3039-0279 available by request