5695-0513 Screening compound: methyl 4-({[2-(4-methoxyphenyl)-4-oxo-4H-chromen-6-yl]oxy}methyl)benzoate

5695-0513 Screening compound: methyl 4-({[2-(4-methoxyphenyl)-4-oxo-4H-chromen-6-yl]oxy}methyl)benzoate
5695-0513 Screening compound: methyl 4-({[2-(4-methoxyphenyl)-4-oxo-4H-chromen-6-yl]oxy}methyl)benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 5695-0513
methyl 4-({[2-(4-methoxyphenyl)-4-oxo-4H-chromen-6-yl]oxy}methyl)benzoate

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

5695-0513

Molecular Formula

C25H20O6 (C25 H20 O6)

Compound Name

methyl 4-({[2-(4-methoxyphenyl)-4-oxo-4H-chromen-6-yl]oxy}methyl)benzoate

IUPAC name

methyl 4-({[2-(4-methoxyphenyl)-4-oxo-4H-chromen-6-yl]oxy}methyl)benzoate

SMILES

COC(c1ccc(COc(cc2)cc3c2OC(c(cc2)ccc2OC)=CC3=O)cc1)=O

InChI

InChI=1S/C25H20O6/c1-28-19-9-7-17(8-10-19)24-14-22(26)21-13-20(11-12-23(21)31-24)30-15-16-3-5-18(6-4-16)25(27)29-2/h3-14H,15H2,1-2H3

InChI Key

DJMQADKKZAAOSJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04063839

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

416.43

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.646

Distribution Coefficient, logD

5.646

Water Solubility, LogSw

-5.58

Polar Surface Area

57.730

Acid Dissociation Constant (pKa)

29.40

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

12.00

5695-0513 in Drug Discovery

Included in Screening Libraries

Anti-infective Library (19449 compounds)

Anti-Inflammatory Library (24602 compounds)

Antimitotic Tubulin Library (17355 compounds)

Autophagy-Targeted Library (4564 compounds)

Glucocorticoid receptors Library (4806 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Immune system
  • 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
Targets:
  • Nuclear receptors
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with 5695-0513 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5695-0513?
Check Price and Availability of 5695-0513, 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 5695-0513 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5695-0513
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5695-0513
  • 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 5695-0513 available by request