4789-5139 Screening compound: butyl 2-[(4-oxo-3-phenyl-4H-chromen-7-yl)oxy]acetate

4789-5139 Screening compound: butyl 2-[(4-oxo-3-phenyl-4H-chromen-7-yl)oxy]acetate
4789-5139 Screening compound: butyl 2-[(4-oxo-3-phenyl-4H-chromen-7-yl)oxy]acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound 4789-5139
butyl 2-[(4-oxo-3-phenyl-4H-chromen-7-yl)oxy]acetate

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

4789-5139

Molecular Formula

C21H20O5 (C21 H20 O5)

Compound Name

butyl 2-[(4-oxo-3-phenyl-4H-chromen-7-yl)oxy]acetate

IUPAC name

butyl 2-[(4-oxo-3-phenyl-4H-chromen-7-yl)oxy]acetate

SMILES

CCCCOC(COc(cc1)cc(OC=C2c3ccccc3)c1C2=O)=O

InChI

InChI=1S/C21H20O5/c1-2-3-11-24-20(22)14-25-16-9-10-17-19(12-16)26-13-18(21(17)23)15-7-5-4-6-8-15/h4-10,12-13H,2-3,11,14H2,1H3

InChI Key

VPCKUJAYWVRGKG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02969303

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

352.39

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.587

Distribution Coefficient, logD

3.587

Water Solubility, LogSw

-3.83

Polar Surface Area

48.812

Acid Dissociation Constant (pKa)

24.85

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.80

4789-5139 in Drug Discovery

Included in Screening Libraries

Therapeutical Diversity Annotated Library (7563 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 4789-5139 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4789-5139?
Check Price and Availability of 4789-5139, 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 4789-5139 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4789-5139
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4789-5139
  • 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 4789-5139 available by request