3057-1758 Screening compound: 3-(4-methoxyphenoxy)-4-oxo-4H-chromen-7-yl 2,2-dimethylpropanoate

3057-1758 Screening compound: 3-(4-methoxyphenoxy)-4-oxo-4H-chromen-7-yl 2,2-dimethylpropanoate
3057-1758 Screening compound: 3-(4-methoxyphenoxy)-4-oxo-4H-chromen-7-yl 2,2-dimethylpropanoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 3057-1758
3-(4-methoxyphenoxy)-4-oxo-4H-chromen-7-yl 2,2-dimethylpropanoate

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

3057-1758

Molecular Formula

C21H20O6 (C21 H20 O6)

Compound Name

3-(4-methoxyphenoxy)-4-oxo-4H-chromen-7-yl 2,2-dimethylpropanoate

IUPAC name

3-(4-methoxyphenoxy)-4-oxo-4H-chromen-7-yl 22-dimethylpropanoate

SMILES

CC(C)(C)C(Oc(cc1)cc(OC=C2Oc(cc3)ccc3OC)c1C2=O)=O

InChI

InChI=1S/C21H20O6/c1-21(2,3)20(23)27-15-9-10-16-17(11-15)25-12-18(19(16)22)26-14-7-5-13(24-4)6-8-14/h5-12H,1-4H3

InChI Key

AVGDPGKOFWMPPD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02067494

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

368.39

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.202

Distribution Coefficient, logD

4.202

Water Solubility, LogSw

-4.54

Polar Surface Area

55.763

Acid Dissociation Constant (pKa)

30.80

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.80

References: we are preparing a list of scientific research reports with 3057-1758 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3057-1758?
Check Price and Availability of 3057-1758, 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 3057-1758 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3057-1758
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3057-1758
  • 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 3057-1758 available by request