4270-0393 Screening compound: 8-benzoyl-4-methyl-2-oxo-2H-chromen-7-yl propanoate

4270-0393 Screening compound: 8-benzoyl-4-methyl-2-oxo-2H-chromen-7-yl propanoate
4270-0393 Screening compound: 8-benzoyl-4-methyl-2-oxo-2H-chromen-7-yl propanoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 4270-0393
8-benzoyl-4-methyl-2-oxo-2H-chromen-7-yl propanoate

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

4270-0393

Molecular Formula

C20H16O5 (C20 H16 O5)

Compound Name

8-benzoyl-4-methyl-2-oxo-2H-chromen-7-yl propanoate

IUPAC name

8-benzoyl-4-methyl-2-oxo-2H-chromen-7-yl propanoate

SMILES

CCC(Oc1ccc(C(C)=CC(O2)=O)c2c1C(c1ccccc1)=O)=O

InChI

InChI=1S/C20H16O5/c1-3-16(21)24-15-10-9-14-12(2)11-17(22)25-20(14)18(15)19(23)13-7-5-4-6-8-13/h4-11H,3H2,1-2H3

InChI Key

DUXNVONEZBLCAU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02215638

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

336.34

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.409

Distribution Coefficient, logD

3.409

Water Solubility, LogSw

-3.86

Polar Surface Area

53.938

Acid Dissociation Constant (pKa)

22.14

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.00

4270-0393 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D

References: we are preparing a list of scientific research reports with 4270-0393 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4270-0393?
Check Price and Availability of 4270-0393, 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 4270-0393 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4270-0393
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4270-0393
  • 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 4270-0393 available by request