5695-0531 Screening compound: butyl 2-{[2-(4-methoxyphenyl)-4-oxo-4H-chromen-6-yl]oxy}acetate

5695-0531 Screening compound: butyl 2-{[2-(4-methoxyphenyl)-4-oxo-4H-chromen-6-yl]oxy}acetate
5695-0531 Screening compound: butyl 2-{[2-(4-methoxyphenyl)-4-oxo-4H-chromen-6-yl]oxy}acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound 5695-0531
butyl 2-{[2-(4-methoxyphenyl)-4-oxo-4H-chromen-6-yl]oxy}acetate

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

5695-0531

Molecular Formula

C22H22O6 (C22 H22 O6)

Compound Name

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

IUPAC name

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

SMILES

CCCCOC(COc(cc1)cc2c1OC(c(cc1)ccc1OC)=CC2=O)=O

InChI

InChI=1S/C22H22O6/c1-3-4-11-26-22(24)14-27-17-9-10-20-18(12-17)19(23)13-21(28-20)15-5-7-16(25-2)8-6-15/h5-10,12-13H,3-4,11,14H2,1-2H3

InChI Key

XQPPRFNGENZGPW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05742479

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

382.41

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.728

Distribution Coefficient, logD

4.728

Water Solubility, LogSw

-4.67

Polar Surface Area

57.281

Acid Dissociation Constant (pKa)

24.85

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

27.30

5695-0531 in Drug Discovery

Included in Screening Libraries

Anti-Aging Library (44940 compounds)

Antimitotic Tubulin Library (17355 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Metabolic
  • Immune system
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with 5695-0531 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5695-0531?
Check Price and Availability of 5695-0531, 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 5695-0531 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5695-0531
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5695-0531
  • 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 5695-0531 available by request