4491-0534 Screening compound: 2-[(2,5-dimethoxyphenyl)methylidene]-2,3-dihydro-1H-indene-1,3-dione

4491-0534 Screening compound: 2-[(2,5-dimethoxyphenyl)methylidene]-2,3-dihydro-1H-indene-1,3-dione
4491-0534 Screening compound: 2-[(2,5-dimethoxyphenyl)methylidene]-2,3-dihydro-1H-indene-1,3-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound 4491-0534
2-[(2,5-dimethoxyphenyl)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

4491-0534

Molecular Formula

C18H14O4 (C18 H14 O4)

Compound Name

2-[(2,5-dimethoxyphenyl)methylidene]-2,3-dihydro-1H-indene-1,3-dione

IUPAC name

2-[(25-dimethoxyphenyl)methylidene]-23-dihydro-1H-indene-13-dione

SMILES

COc(cc1)cc(C=C(C(c2c3cccc2)=O)C3=O)c1OC

InChI

InChI=1S/C18H14O4/c1-21-12-7-8-16(22-2)11(9-12)10-15-17(19)13-5-3-4-6-14(13)18(15)20/h3-10H,1-2H3

InChI Key

ABXCAOMREPMPCD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00405183

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

294.31

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

3.489

Distribution Coefficient, logD

3.489

Water Solubility, LogSw

-3.97

Polar Surface Area

41.721

Acid Dissociation Constant (pKa)

33.29

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

11.10

References: we are preparing a list of scientific research reports with 4491-0534 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4491-0534?
Check Price and Availability of 4491-0534, 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 4491-0534 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4491-0534
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4491-0534
  • 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 4491-0534 available by request