4597-0482 Screening compound: 8-bromo-4-(2-fluorophenyl)-3H,3aH,4H,5H,9bH-cyclopenta[c]quinoline

4597-0482 Screening compound: 8-bromo-4-(2-fluorophenyl)-3H,3aH,4H,5H,9bH-cyclopenta[c]quinoline
4597-0482 Screening compound: 8-bromo-4-(2-fluorophenyl)-3H,3aH,4H,5H,9bH-cyclopenta[c]quinoline alternative view

Chemical Structure Depiction of ChemDiv screening compound 4597-0482
8-bromo-4-(2-fluorophenyl)-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

4597-0482

Molecular Formula

C18H15BrFN (C18 H15 BrFN)

Compound Name

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

IUPAC name

8-bromo-4-(2-fluorophenyl)-3H3aH4H5H9bH-cyclopenta[c]quinoline

SMILES

Fc1c(C(C2C3C=CC2)Nc(cc2)c3cc2Br)cccc1

InChI

InChI=1S/C18H15BrFN/c19-11-8-9-17-15(10-11)12-5-3-6-13(12)18(21-17)14-4-1-2-7-16(14)20/h1-5,7-10,12-13,18,21H,6H2

InChI Key

ADLLQAZLWSMOCI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02128077

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

344.23

Hydrogen Bond Acceptors Count

0.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

1.00

Number of Nitrogen and Oxygen Atoms

1

Partition Coefficient, logP

5.608

Distribution Coefficient, logD

5.608

Water Solubility, LogSw

-6.02

Polar Surface Area

12.321

Acid Dissociation Constant (pKa)

16.56

Base Dissociation Constant (pKb)

-2.00

Number of Chiral Centers

3.00

Percent sp3 carbon bonding

22.20

4597-0482 in Drug Discovery

Included in Screening Libraries

KRAS-Targeted Library (16000 compounds)

Akt-Targeted Library (14764 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Targets:
  • Kinases
  • Kinases

References: we are preparing a list of scientific research reports with 4597-0482 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4597-0482?
Check Price and Availability of 4597-0482, 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 4597-0482 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4597-0482
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4597-0482
  • 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 4597-0482 available by request