1788-0017 Screening compound: 6-bromo-2-(4-methoxyphenyl)-4-phenylquinoline

1788-0017 Screening compound: 6-bromo-2-(4-methoxyphenyl)-4-phenylquinoline
1788-0017 Screening compound: 6-bromo-2-(4-methoxyphenyl)-4-phenylquinoline alternative view

Chemical Structure Depiction of ChemDiv screening compound 1788-0017
6-bromo-2-(4-methoxyphenyl)-4-phenylquinoline

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

1788-0017

Molecular Formula

C22H16BrNO (C22 H16 BrNO)

Compound Name

6-bromo-2-(4-methoxyphenyl)-4-phenylquinoline

IUPAC name

6-bromo-2-(4-methoxyphenyl)-4-phenylquinoline

SMILES

COc(cc1)ccc1-c1cc(-c2ccccc2)c(cc(cc2)Br)c2n1

InChI

InChI=1S/C22H16BrNO/c1-25-18-10-7-16(8-11-18)22-14-19(15-5-3-2-4-6-15)20-13-17(23)9-12-21(20)24-22/h2-14H,1H3

InChI Key

NMMBZKSNBPEJIC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00374756

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

390.28

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

2

Partition Coefficient, logP

7.071

Distribution Coefficient, logD

7.069

Water Solubility, LogSw

-6.09

Polar Surface Area

15.570

Acid Dissociation Constant (pKa)

33.29

Base Dissociation Constant (pKb)

5.02

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

4.50

1788-0017 in Drug Discovery

Included in Screening Libraries

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

Human Kinases Annotated Library (2415 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 1788-0017 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1788-0017?
Check Price and Availability of 1788-0017, 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 1788-0017 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1788-0017
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1788-0017
  • 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 1788-0017 available by request