4789-5287 Screening compound: 4-oxo-3-phenyl-4H-chromen-7-yl 3,4-dimethoxybenzoate

4789-5287 Screening compound: 4-oxo-3-phenyl-4H-chromen-7-yl 3,4-dimethoxybenzoate
4789-5287 Screening compound: 4-oxo-3-phenyl-4H-chromen-7-yl 3,4-dimethoxybenzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 4789-5287
4-oxo-3-phenyl-4H-chromen-7-yl 3,4-dimethoxybenzoate

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

4789-5287

Molecular Formula

C24H18O6 (C24 H18 O6)

Compound Name

4-oxo-3-phenyl-4H-chromen-7-yl 3,4-dimethoxybenzoate

IUPAC name

4-oxo-3-phenyl-4H-chromen-7-yl 34-dimethoxybenzoate

SMILES

COc(ccc(C(Oc(cc1)cc(OC=C2c3ccccc3)c1C2=O)=O)c1)c1OC

InChI

InChI=1S/C24H18O6/c1-27-20-11-8-16(12-22(20)28-2)24(26)30-17-9-10-18-21(13-17)29-14-19(23(18)25)15-6-4-3-5-7-15/h3-14H,1-2H3

InChI Key

JTRXOHWBTKFKLV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02969450

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

402.4

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

3.517

Distribution Coefficient, logD

3.517

Water Solubility, LogSw

-3.88

Polar Surface Area

56.499

Acid Dissociation Constant (pKa)

33.29

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

8.30

4789-5287 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

Antimitotic Tubulin Library (17355 compounds)

Antiparasite Library (23996 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Infections
  • Immune system
  • animal
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 4789-5287 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4789-5287?
Check Price and Availability of 4789-5287, 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 4789-5287 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4789-5287
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4789-5287
  • 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 4789-5287 available by request