0800-0940 Screening compound: 3-[(1E)-3-(6-bromo-2-methyl-4-phenylquinolin-3-yl)-3-oxoprop-1-en-1-yl]-7-ethoxy-1,2-dihydroquinolin-2-one

0800-0940 Screening compound: 3-[(1E)-3-(6-bromo-2-methyl-4-phenylquinolin-3-yl)-3-oxoprop-1-en-1-yl]-7-ethoxy-1,2-dihydroquinolin-2-one
0800-0940 Screening compound: 3-[(1E)-3-(6-bromo-2-methyl-4-phenylquinolin-3-yl)-3-oxoprop-1-en-1-yl]-7-ethoxy-1,2-dihydroquinolin-2-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 0800-0940
3-[(1E)-3-(6-bromo-2-methyl-4-phenylquinolin-3-yl)-3-oxoprop-1-en-1-yl]-7-ethoxy-1,2-dihydroquinolin-2-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

0800-0940

Molecular Formula

C30H23BrN2O3 (C30 H23 BrN2 O3)

Compound Name

3-[(1E)-3-(6-bromo-2-methyl-4-phenylquinolin-3-yl)-3-oxoprop-1-en-1-yl]-7-ethoxy-1,2-dihydroquinolin-2-one

IUPAC name

3-[(1E)-3-(6-bromo-2-methyl-4-phenylquinolin-3-yl)-3-oxoprop-1-en-1-yl]-7-ethoxy-12-dihydroquinolin-2-one

SMILES

CCOc(cc1)cc(N2)c1C=C(/C=C/C(c1c(C)nc(ccc(Br)c3)c3c1-c1ccccc1)=O)C2=O

InChI

InChI=1S/C30H23BrN2O3/c1-3-36-23-12-9-20-15-21(30(35)33-26(20)17-23)10-14-27(34)28-18(2)32-25-13-11-22(31)16-24(25)29(28)19-7-5-4-6-8-19/h4-17H,3H2,1-2H3,(H,33,35)

InChI Key

XCDVTWBOGLSKHR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00548203

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

539.43

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

7.177

Distribution Coefficient, logD

7.172

Water Solubility, LogSw

-5.74

Polar Surface Area

53.851

Acid Dissociation Constant (pKa)

9.36

Base Dissociation Constant (pKb)

-0.66

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

10.00

0800-0940 in Drug Discovery

Included in Screening Libraries

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

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 0800-0940 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0800-0940?
Check Price and Availability of 0800-0940, 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 0800-0940 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0800-0940
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0800-0940
  • 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 0800-0940 available by request