4789-5071 Screening compound: butyl 4-oxo-3-phenyl-4H-chromen-7-yl carbonate

4789-5071 Screening compound: butyl 4-oxo-3-phenyl-4H-chromen-7-yl carbonate
4789-5071 Screening compound: butyl 4-oxo-3-phenyl-4H-chromen-7-yl carbonate alternative view

Chemical Structure Depiction of ChemDiv screening compound 4789-5071
butyl 4-oxo-3-phenyl-4H-chromen-7-yl carbonate

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

4789-5071

Molecular Formula

C20H18O5 (C20 H18 O5)

Compound Name

butyl 4-oxo-3-phenyl-4H-chromen-7-yl carbonate

IUPAC name

butyl 4-oxo-3-phenyl-4H-chromen-7-yl carbonate

SMILES

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

InChI

InChI=1S/C20H18O5/c1-2-3-11-23-20(22)25-15-9-10-16-18(12-15)24-13-17(19(16)21)14-7-5-4-6-8-14/h4-10,12-13H,2-3,11H2,1H3

InChI Key

NPXUAQBZWGJVNB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02969236

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

338.36

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.566

Distribution Coefficient, logD

3.566

Water Solubility, LogSw

-3.85

Polar Surface Area

49.920

Acid Dissociation Constant (pKa)

28.32

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.00

References: we are preparing a list of scientific research reports with 4789-5071 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4789-5071?
Check Price and Availability of 4789-5071, 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 4789-5071 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4789-5071
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4789-5071
  • 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 4789-5071 available by request