5695-0500 Screening compound: 2-(4-methoxyphenyl)-4-oxo-4H-chromen-6-yl 4-methoxybenzoate

5695-0500 Screening compound: 2-(4-methoxyphenyl)-4-oxo-4H-chromen-6-yl 4-methoxybenzoate
5695-0500 Screening compound: 2-(4-methoxyphenyl)-4-oxo-4H-chromen-6-yl 4-methoxybenzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 5695-0500
2-(4-methoxyphenyl)-4-oxo-4H-chromen-6-yl 4-methoxybenzoate

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

5695-0500

Molecular Formula

C24H18O6 (C24 H18 O6)

Compound Name

2-(4-methoxyphenyl)-4-oxo-4H-chromen-6-yl 4-methoxybenzoate

IUPAC name

2-(4-methoxyphenyl)-4-oxo-4H-chromen-6-yl 4-methoxybenzoate

SMILES

COc(cc1)ccc1C(Oc(cc1)cc2c1OC(c(cc1)ccc1OC)=CC2=O)=O

InChI

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

InChI Key

KZLOABQGIKPPAJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03619938

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

5.137

Distribution Coefficient, logD

5.137

Water Solubility, LogSw

-5.13

Polar Surface Area

57.251

Acid Dissociation Constant (pKa)

33.29

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

8.30

5695-0500 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

Anti-infective Library (19449 compounds)

Anti-Inflammatory Library (24602 compounds)

Anticancer Library (62698 compounds)

Antimitotic Tubulin Library (17355 compounds)

Autophagy-Targeted Library (4564 compounds)

Glucocorticoid receptors Library (4806 compounds)

Protein-Protein Interaction Library (218420 compounds)

Serine Proteases Inhibitors Library (32732 compounds)

Chemokine Receptor-Targeted Library (18382 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Female
  • Congenital
  • Skin
  • Infections
  • Immune system
  • animal
  • Immune system
  • Cancer
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Infections
  • Cancer
  • Digestive system
  • Respiratory tract
  • Nervous system
  • Male
  • Female
  • Cardiovascular
  • Skin
  • Metabolic
  • Immune system
  • Cancer
  • Nervous system
  • Hemic and lymphatic
  • Congenital
  • Metabolic
  • Endocrine
  • Infections
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Cardiovascular
  • Skin
  • Metabolic
  • Immune system
  • Immune system
Targets:
  • Kinases
  • Nuclear receptors
  • Proteases
Mechanism of action:
  • Receptor's ligands
  • PPI modulators
  • Receptor's ligands

References: we are preparing a list of scientific research reports with 5695-0500 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5695-0500?
Check Price and Availability of 5695-0500, 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 5695-0500 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5695-0500
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5695-0500
  • 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 5695-0500 available by request