0590-0564 Screening compound: (2E)-1-(6-bromo-2-methyl-4-phenylquinolin-3-yl)-3-(3-bromophenyl)prop-2-en-1-one

0590-0564 Screening compound: (2E)-1-(6-bromo-2-methyl-4-phenylquinolin-3-yl)-3-(3-bromophenyl)prop-2-en-1-one
0590-0564 Screening compound: (2E)-1-(6-bromo-2-methyl-4-phenylquinolin-3-yl)-3-(3-bromophenyl)prop-2-en-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 0590-0564
(2E)-1-(6-bromo-2-methyl-4-phenylquinolin-3-yl)-3-(3-bromophenyl)prop-2-en-1-one

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

0590-0564

Molecular Formula

C25H17Br2NO (C25 H17 Br2 NO)

Compound Name

(2E)-1-(6-bromo-2-methyl-4-phenylquinolin-3-yl)-3-(3-bromophenyl)prop-2-en-1-one

IUPAC name

(2E)-1-(6-bromo-2-methyl-4-phenylquinolin-3-yl)-3-(3-bromophenyl)prop-2-en-1-one

SMILES

Cc1c(C(/C=C/c2cc(Br)ccc2)=O)c(-c2ccccc2)c(cc(cc2)Br)c2n1

InChI

InChI=1S/C25H17Br2NO/c1-16-24(23(29)13-10-17-6-5-9-19(26)14-17)25(18-7-3-2-4-8-18)21-15-20(27)11-12-22(21)28-16/h2-15H,1H3

InChI Key

XKWOWLYQCNDZOL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00989576

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

507.22

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

2

Partition Coefficient, logP

7.918

Distribution Coefficient, logD

7.918

Water Solubility, LogSw

-5.89

Polar Surface Area

21.850

Acid Dissociation Constant (pKa)

27.99

Base Dissociation Constant (pKb)

-0.86

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

4.00

0590-0564 in Drug Discovery

Included in Screening Libraries

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 0590-0564 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0590-0564?
Check Price and Availability of 0590-0564, 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 0590-0564 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0590-0564
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0590-0564
  • 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 0590-0564 available by request