4789-3425 Screening compound: 4-oxo-1H,2H,3H,4H-cyclopenta[c]chromen-7-yl 4-(4-methoxyphenoxy)butanoate

4789-3425 Screening compound: 4-oxo-1H,2H,3H,4H-cyclopenta[c]chromen-7-yl 4-(4-methoxyphenoxy)butanoate
4789-3425 Screening compound: 4-oxo-1H,2H,3H,4H-cyclopenta[c]chromen-7-yl 4-(4-methoxyphenoxy)butanoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 4789-3425
4-oxo-1H,2H,3H,4H-cyclopenta[c]chromen-7-yl 4-(4-methoxyphenoxy)butanoate

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

4789-3425

Molecular Formula

C23H22O6 (C23 H22 O6)

Compound Name

4-oxo-1H,2H,3H,4H-cyclopenta[c]chromen-7-yl 4-(4-methoxyphenoxy)butanoate

IUPAC name

4-oxo-1H2H3H4H-cyclopenta[c]chromen-7-yl 4-(4-methoxyphenoxy)butanoate

SMILES

COc(cc1)ccc1OCCCC(Oc(cc1)cc(O2)c1C(CCC1)=C1C2=O)=O

InChI

InChI=1S/C23H22O6/c1-26-15-7-9-16(10-8-15)27-13-3-6-22(24)28-17-11-12-19-18-4-2-5-20(18)23(25)29-21(19)14-17/h7-12,14H,2-6,13H2,1H3

InChI Key

BNMGNAHEZHUCME-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02967680

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

394.42

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

3.970

Distribution Coefficient, logD

3.970

Water Solubility, LogSw

-4.19

Polar Surface Area

56.191

Acid Dissociation Constant (pKa)

21.70

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

30.40

4789-3425 in Drug Discovery

Included in Screening Libraries

Anti-infective Library (19449 compounds)

Adenosine Receptors Targeted Library (19896 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Cancer
  • Digestive system
  • Respiratory tract
  • Nervous system
  • Eye
  • Cardiovascular
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with 4789-3425 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4789-3425?
Check Price and Availability of 4789-3425, 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 4789-3425 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4789-3425
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4789-3425
  • 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 4789-3425 available by request