4300-0117 Screening compound: ethyl 2-{[3-(4-tert-butylphenoxy)-4-oxo-4H-chromen-7-yl]oxy}acetate

4300-0117 Screening compound: ethyl 2-{[3-(4-tert-butylphenoxy)-4-oxo-4H-chromen-7-yl]oxy}acetate
4300-0117 Screening compound: ethyl 2-{[3-(4-tert-butylphenoxy)-4-oxo-4H-chromen-7-yl]oxy}acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound 4300-0117
ethyl 2-{[3-(4-tert-butylphenoxy)-4-oxo-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

4300-0117

Molecular Formula

C23H24O6 (C23 H24 O6)

Compound Name

ethyl 2-{[3-(4-tert-butylphenoxy)-4-oxo-4H-chromen-7-yl]oxy}acetate

IUPAC name

ethyl 2-{[3-(4-tert-butylphenoxy)-4-oxo-4H-chromen-7-yl]oxy}acetate

SMILES

CCOC(COc(cc1)cc(OC=C2Oc3ccc(C(C)(C)C)cc3)c1C2=O)=O

InChI

InChI=1S/C23H24O6/c1-5-26-21(24)14-27-17-10-11-18-19(12-17)28-13-20(22(18)25)29-16-8-6-15(7-9-16)23(2,3)4/h6-13H,5,14H2,1-4H3

InChI Key

SHZWVBQGVYUGMN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02331951

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

396.44

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.715

Distribution Coefficient, logD

4.715

Water Solubility, LogSw

-4.56

Polar Surface Area

55.228

Acid Dissociation Constant (pKa)

24.85

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

30.40

References: we are preparing a list of scientific research reports with 4300-0117 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4300-0117?
Check Price and Availability of 4300-0117, 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 4300-0117 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4300-0117
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4300-0117
  • 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 4300-0117 available by request