4491-0536 Screening compound: 2-{[4-(benzyloxy)-3-methoxyphenyl]methylidene}-2,3-dihydro-1H-indene-1,3-dione

4491-0536 Screening compound: 2-{[4-(benzyloxy)-3-methoxyphenyl]methylidene}-2,3-dihydro-1H-indene-1,3-dione
4491-0536 Screening compound: 2-{[4-(benzyloxy)-3-methoxyphenyl]methylidene}-2,3-dihydro-1H-indene-1,3-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound 4491-0536
2-{[4-(benzyloxy)-3-methoxyphenyl]methylidene}-2,3-dihydro-1H-indene-1,3-dione

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

4491-0536

Molecular Formula

C24H18O4 (C24 H18 O4)

Compound Name

2-{[4-(benzyloxy)-3-methoxyphenyl]methylidene}-2,3-dihydro-1H-indene-1,3-dione

IUPAC name

2-{[4-(benzyloxy)-3-methoxyphenyl]methylidene}-23-dihydro-1H-indene-13-dione

SMILES

COc(cc(C=C(C(c1c2cccc1)=O)C2=O)cc1)c1OCc1ccccc1

InChI

InChI=1S/C24H18O4/c1-27-22-14-17(11-12-21(22)28-15-16-7-3-2-4-8-16)13-20-23(25)18-9-5-6-10-19(18)24(20)26/h2-14H,15H2,1H3

InChI Key

YIAKZELMJZETQR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01030358

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

370.4

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.569

Distribution Coefficient, logD

4.569

Water Solubility, LogSw

-4.90

Polar Surface Area

41.491

Acid Dissociation Constant (pKa)

29.40

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

8.30

4491-0536 in Drug Discovery

Included in Screening Libraries

Lipid Metabolism Library (9174 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cardiovascular
  • Metabolic

References: we are preparing a list of scientific research reports with 4491-0536 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4491-0536?
Check Price and Availability of 4491-0536, 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 4491-0536 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4491-0536
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4491-0536
  • 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 4491-0536 available by request