6177-0317 Screening compound: 4-(4-bromophenyl)-6,8-dimethoxy-3H,3aH,4H,5H,9bH-cyclopenta[c]quinoline

6177-0317 Screening compound: 4-(4-bromophenyl)-6,8-dimethoxy-3H,3aH,4H,5H,9bH-cyclopenta[c]quinoline
6177-0317 Screening compound: 4-(4-bromophenyl)-6,8-dimethoxy-3H,3aH,4H,5H,9bH-cyclopenta[c]quinoline alternative view

Chemical Structure Depiction of ChemDiv screening compound 6177-0317
4-(4-bromophenyl)-6,8-dimethoxy-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

6177-0317

Molecular Formula

C20H20BrNO2 (C20 H20 BrNO2)

Compound Name

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

IUPAC name

(3aS4R9bR)-4-(4-bromophenyl)-68-dimethoxy-3H3aH4H5H9bH-cyclopenta[c]quinoline

SMILES

COc(cc1[C@H]2C=CC[C@@H]22)cc(OC)c1N[C@@H]2c(cc1)ccc1Br

InChI

InChI=1S/C20H20BrNO2/c1-23-14-10-17-15-4-3-5-16(15)19(12-6-8-13(21)9-7-12)22-20(17)18(11-14)24-2/h3-4,6-11,15-16,19,22H,5H2,1-2H3/t15-,16-,19-/m1/s1

InChI Key

ZTIUKDUSOARIJB-GPMSIDNRSA-N

MDL Number (MFCD)

MFCD07546070

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

386.29

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

5.000

Distribution Coefficient, logD

5.000

Water Solubility, LogSw

-4.79

Polar Surface Area

25.244

Acid Dissociation Constant (pKa)

16.95

Base Dissociation Constant (pKb)

5.05

Number of Chiral Centers

3.00

Percent sp3 carbon bonding

30.00

6177-0317 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

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

Akt-Targeted Library (14764 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with 6177-0317 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6177-0317?
Check Price and Availability of 6177-0317, 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 6177-0317 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6177-0317
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6177-0317
  • 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 6177-0317 available by request