4976-0872 Screening compound: 9-bromo-4-(4-nitrophenyl)-3H,3aH,4H,5H,9bH-cyclopenta[c]quinolin-6-ol

4976-0872 Screening compound: 9-bromo-4-(4-nitrophenyl)-3H,3aH,4H,5H,9bH-cyclopenta[c]quinolin-6-ol
4976-0872 Screening compound: 9-bromo-4-(4-nitrophenyl)-3H,3aH,4H,5H,9bH-cyclopenta[c]quinolin-6-ol alternative view

Chemical Structure Depiction of ChemDiv screening compound 4976-0872
9-bromo-4-(4-nitrophenyl)-3H,3aH,4H,5H,9bH-cyclopenta[c]quinolin-6-ol

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

4976-0872

Molecular Formula

C18H15BrN2O3 (C18 H15 BrN2 O3)

Compound Name

9-bromo-4-(4-nitrophenyl)-3H,3aH,4H,5H,9bH-cyclopenta[c]quinolin-6-ol

IUPAC name

9-bromo-4-(4-nitrophenyl)-3H3aH4H5H9bH-cyclopenta[c]quinolin-6-ol

SMILES

[O-][N+](c1ccc(C(C(CC=C2)C2c2c(cc3)Br)Nc2c3O)cc1)=O

InChI

InChI=1S/C18H15BrN2O3/c19-14-8-9-15(22)18-16(14)12-2-1-3-13(12)17(20-18)10-4-6-11(7-5-10)21(23)24/h1-2,4-9,12-13,17,20,22H,3H2

InChI Key

CMUIDCHCXUFPLC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03147163

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

387.23

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.598

Distribution Coefficient, logD

4.598

Water Solubility, LogSw

-4.43

Polar Surface Area

59.999

Acid Dissociation Constant (pKa)

10.60

Base Dissociation Constant (pKb)

-1.97

Number of Chiral Centers

3.00

Percent sp3 carbon bonding

22.20

4976-0872 in Drug Discovery

Included in Screening Libraries

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 4976-0872 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4976-0872?
Check Price and Availability of 4976-0872, 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 4976-0872 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4976-0872
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4976-0872
  • 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 4976-0872 available by request