4789-3428 Screening compound: 4-oxo-1H,2H,3H,4H-cyclopenta[c]chromen-7-yl 3,4,5-triethoxybenzoate

4789-3428 Screening compound: 4-oxo-1H,2H,3H,4H-cyclopenta[c]chromen-7-yl 3,4,5-triethoxybenzoate
4789-3428 Screening compound: 4-oxo-1H,2H,3H,4H-cyclopenta[c]chromen-7-yl 3,4,5-triethoxybenzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 4789-3428
4-oxo-1H,2H,3H,4H-cyclopenta[c]chromen-7-yl 3,4,5-triethoxybenzoate

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

4789-3428

Molecular Formula

C25H26O7 (C25 H26 O7)

Compound Name

4-oxo-1H,2H,3H,4H-cyclopenta[c]chromen-7-yl 3,4,5-triethoxybenzoate

IUPAC name

4-oxo-1H2H3H4H-cyclopenta[c]chromen-7-yl 345-triethoxybenzoate

SMILES

CCOc1cc(C(Oc(cc2)cc(O3)c2C(CCC2)=C2C3=O)=O)cc(OCC)c1OCC

InChI

InChI=1S/C25H26O7/c1-4-28-21-12-15(13-22(29-5-2)23(21)30-6-3)24(26)31-16-10-11-18-17-8-7-9-19(17)25(27)32-20(18)14-16/h10-14H,4-9H2,1-3H3

InChI Key

MEJAHSLKPCNJJV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02967683

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

438.48

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.845

Distribution Coefficient, logD

3.845

Water Solubility, LogSw

-4.00

Polar Surface Area

63.542

Acid Dissociation Constant (pKa)

24.14

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

36.00

References: we are preparing a list of scientific research reports with 4789-3428 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4789-3428?
Check Price and Availability of 4789-3428, 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 4789-3428 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4789-3428
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4789-3428
  • 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 4789-3428 available by request