5695-0502 Screening compound: 2-(4-methoxyphenyl)-4-oxo-4H-chromen-6-yl 3,4,5-trimethoxybenzoate

5695-0502 Screening compound: 2-(4-methoxyphenyl)-4-oxo-4H-chromen-6-yl 3,4,5-trimethoxybenzoate
5695-0502 Screening compound: 2-(4-methoxyphenyl)-4-oxo-4H-chromen-6-yl 3,4,5-trimethoxybenzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 5695-0502
2-(4-methoxyphenyl)-4-oxo-4H-chromen-6-yl 3,4,5-trimethoxybenzoate

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

5695-0502

Molecular Formula

C26H22O8 (C26 H22 O8)

Compound Name

2-(4-methoxyphenyl)-4-oxo-4H-chromen-6-yl 3,4,5-trimethoxybenzoate

IUPAC name

2-(4-methoxyphenyl)-4-oxo-4H-chromen-6-yl 345-trimethoxybenzoate

SMILES

COc(cc1)ccc1C(Oc(cc1)c2cc1OC(c(cc1OC)cc(OC)c1OC)=O)=CC2=O

InChI

InChI=1S/C26H22O8/c1-29-17-7-5-15(6-8-17)22-14-20(27)19-13-18(9-10-21(19)34-22)33-26(28)16-11-23(30-2)25(32-4)24(12-16)31-3/h5-14H,1-4H3

InChI Key

FRMQCCXDZNAVJU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03847012

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

462.46

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.586

Distribution Coefficient, logD

4.586

Water Solubility, LogSw

-4.59

Polar Surface Area

72.685

Acid Dissociation Constant (pKa)

33.29

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.40

5695-0502 in Drug Discovery

Included in Screening Libraries

Anti-infective Library (19449 compounds)

Autophagy-Targeted Library (4564 compounds)

Glucocorticoid receptors Library (4806 compounds)

Akt-Targeted Library (14764 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with 5695-0502 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5695-0502?
Check Price and Availability of 5695-0502, 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 5695-0502 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5695-0502
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5695-0502
  • 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 5695-0502 available by request