6177-0306 Screening compound: 4-(2-bromophenyl)-3H,3aH,4H,5H,9bH-cyclopenta[c]quinoline

6177-0306 Screening compound: 4-(2-bromophenyl)-3H,3aH,4H,5H,9bH-cyclopenta[c]quinoline
6177-0306 Screening compound: 4-(2-bromophenyl)-3H,3aH,4H,5H,9bH-cyclopenta[c]quinoline alternative view

Chemical Structure Depiction of ChemDiv screening compound 6177-0306
4-(2-bromophenyl)-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

6177-0306

Molecular Formula

C18H16BrN (C18 H16 BrN)

Compound Name

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

IUPAC name

(3aS4R9bR)-4-(2-bromophenyl)-3H3aH4H5H9bH-cyclopenta[c]quinoline

SMILES

Brc1c([C@H]([C@H]2[C@@H]3C=CC2)Nc2c3cccc2)cccc1

InChI

InChI=1S/C18H16BrN/c19-16-10-3-1-7-15(16)18-14-9-5-8-12(14)13-6-2-4-11-17(13)20-18/h1-8,10-12,14,18,20H,9H2/t12-,14+,18-/m0/s1

InChI Key

BPTGFMCTVQMOHX-WRSAYESZSA-N

MDL Number (MFCD)

MFCD01966667

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

326.24

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

5.244

Distribution Coefficient, logD

5.244

Water Solubility, LogSw

-5.45

Polar Surface Area

12.321

Acid Dissociation Constant (pKa)

16.95

Base Dissociation Constant (pKb)

-1.33

Number of Chiral Centers

3.00

Percent sp3 carbon bonding

22.20

6177-0306 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

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 6177-0306 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6177-0306?
Check Price and Availability of 6177-0306, 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 6177-0306 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6177-0306
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6177-0306
  • 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 6177-0306 available by request