7706-0986 Screening compound: 3-hydroxy-2-{[3-hydroxy-6-(hydroxymethyl)-4-oxo-4H-pyran-2-yl](3,4,5-trimethoxyphenyl)methyl}-6-(hydroxymethyl)-4H-pyran-4-one

7706-0986 Screening compound: 3-hydroxy-2-{[3-hydroxy-6-(hydroxymethyl)-4-oxo-4H-pyran-2-yl](3,4,5-trimethoxyphenyl)methyl}-6-(hydroxymethyl)-4H-pyran-4-one
7706-0986 Screening compound: 3-hydroxy-2-{[3-hydroxy-6-(hydroxymethyl)-4-oxo-4H-pyran-2-yl](3,4,5-trimethoxyphenyl)methyl}-6-(hydroxymethyl)-4H-pyran-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 7706-0986
3-hydroxy-2-{[3-hydroxy-6-(hydroxymethyl)-4-oxo-4H-pyran-2-yl](3,4,5-trimethoxyphenyl)methyl}-6-(hydroxymethyl)-4H-pyran-4-one

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

7706-0986

Molecular Formula

C22H22O11 (C22 H22 O11)

Compound Name

3-hydroxy-2-{[3-hydroxy-6-(hydroxymethyl)-4-oxo-4H-pyran-2-yl](3,4,5-trimethoxyphenyl)methyl}-6-(hydroxymethyl)-4H-pyran-4-one

IUPAC name

3-hydroxy-2-{[3-hydroxy-6-(hydroxymethyl)-4-oxo-4H-pyran-2-yl](345-trimethoxyphenyl)methyl}-6-(hydroxymethyl)-4H-pyran-4-one

SMILES

COc1cc(C(C(OC(CO)=CC2=O)=C2O)C(OC(CO)=CC2=O)=C2O)cc(OC)c1OC

InChI

InChI=1S/C22H22O11/c1-29-15-4-10(5-16(30-2)20(15)31-3)17(21-18(27)13(25)6-11(8-23)32-21)22-19(28)14(26)7-12(9-24)33-22/h4-7,17,23-24,27-28H,8-9H2,1-3H3

InChI Key

FWMZIACNMHIHCG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05843611

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

462.41

Hydrogen Bond Acceptors Count

13.00

Hydrogen Bond Donors Count

4.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

11

Partition Coefficient, logP

-0.092

Distribution Coefficient, logD

-0.334

Water Solubility, LogSw

-0.60

Polar Surface Area

131.869

Acid Dissociation Constant (pKa)

7.53

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

27.30

7706-0986 in Drug Discovery

Included in Screening Libraries

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

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 7706-0986 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 7706-0986?
Check Price and Availability of 7706-0986, 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 7706-0986 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 7706-0986
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 7706-0986
  • 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 7706-0986 available by request