0800-0957 Screening compound: 6-bromo-3-[(2E)-3-(5-methylfuran-2-yl)prop-2-enoyl]-4-phenyl-1,2-dihydroquinolin-2-one

0800-0957 Screening compound: 6-bromo-3-[(2E)-3-(5-methylfuran-2-yl)prop-2-enoyl]-4-phenyl-1,2-dihydroquinolin-2-one
0800-0957 Screening compound: 6-bromo-3-[(2E)-3-(5-methylfuran-2-yl)prop-2-enoyl]-4-phenyl-1,2-dihydroquinolin-2-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 0800-0957
6-bromo-3-[(2E)-3-(5-methylfuran-2-yl)prop-2-enoyl]-4-phenyl-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

0800-0957

Molecular Formula

C23H16BrNO3 (C23 H16 BrNO3)

Compound Name

6-bromo-3-[(2E)-3-(5-methylfuran-2-yl)prop-2-enoyl]-4-phenyl-1,2-dihydroquinolin-2-one

IUPAC name

6-bromo-3-[(2E)-3-(5-methylfuran-2-yl)prop-2-enoyl]-4-phenyl-12-dihydroquinolin-2-one

SMILES

Cc1ccc(/C=C/C(C2=C(c3ccccc3)c(cc(cc3)Br)c3NC2=O)=O)o1

InChI

InChI=1S/C23H16BrNO3/c1-14-7-9-17(28-14)10-12-20(26)22-21(15-5-3-2-4-6-15)18-13-16(24)8-11-19(18)25-23(22)27/h2-13H,1H3,(H,25,27)

InChI Key

XLGJFDCEFSNHSL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00643498

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

434.29

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

5.554

Distribution Coefficient, logD

4.540

Water Solubility, LogSw

-5.56

Polar Surface Area

45.083

Acid Dissociation Constant (pKa)

6.43

Base Dissociation Constant (pKb)

-8.11

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

4.30

0800-0957 in Drug Discovery

Included in Screening Libraries

Frequent Hitters Library (7624 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool

References: we are preparing a list of scientific research reports with 0800-0957 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0800-0957?
Check Price and Availability of 0800-0957, 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 0800-0957 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0800-0957
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0800-0957
  • 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 0800-0957 available by request