1189-1445 Screening compound: 3-[(2E)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)prop-2-enoyl]-4-phenyl-1,2-dihydroquinolin-2-one

1189-1445 Screening compound: 3-[(2E)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)prop-2-enoyl]-4-phenyl-1,2-dihydroquinolin-2-one
1189-1445 Screening compound: 3-[(2E)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)prop-2-enoyl]-4-phenyl-1,2-dihydroquinolin-2-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 1189-1445
3-[(2E)-3-(2,3-dihydro-1,4-benzodioxin-6-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

1189-1445

Molecular Formula

C26H19NO4 (C26 H19 NO4)

Compound Name

3-[(2E)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)prop-2-enoyl]-4-phenyl-1,2-dihydroquinolin-2-one

IUPAC name

3-[(2E)-3-(23-dihydro-14-benzodioxin-6-yl)prop-2-enoyl]-4-phenyl-12-dihydroquinolin-2-one

SMILES

O=C(/C=C/c(cc1)cc2c1OCCO2)C1=C(c2ccccc2)c(cccc2)c2NC1=O

InChI

InChI=1S/C26H19NO4/c28-21(12-10-17-11-13-22-23(16-17)31-15-14-30-22)25-24(18-6-2-1-3-7-18)19-8-4-5-9-20(19)27-26(25)29/h1-13,16H,14-15H2,(H,27,29)

InChI Key

JMVSBYNBFIXCJN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02641379

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

409.44

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.085

Distribution Coefficient, logD

4.025

Water Solubility, LogSw

-4.37

Polar Surface Area

53.643

Acid Dissociation Constant (pKa)

8.23

Base Dissociation Constant (pKb)

-7.37

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

7.70

1189-1445 in Drug Discovery

Included in Screening Libraries

Frequent Hitters Library (7624 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 1189-1445 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1189-1445?
Check Price and Availability of 1189-1445, 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 1189-1445 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1189-1445
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1189-1445
  • 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 1189-1445 available by request