8011-7951 Screening compound: 2-(3,4-dimethoxyphenyl)-2-oxoethyl 3,4-dimethoxybenzoate

8011-7951 Screening compound: 2-(3,4-dimethoxyphenyl)-2-oxoethyl 3,4-dimethoxybenzoate
8011-7951 Screening compound: 2-(3,4-dimethoxyphenyl)-2-oxoethyl 3,4-dimethoxybenzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8011-7951
2-(3,4-dimethoxyphenyl)-2-oxoethyl 3,4-dimethoxybenzoate

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

8011-7951

Molecular Formula

C19H20O7 (C19 H20 O7)

Compound Name

2-(3,4-dimethoxyphenyl)-2-oxoethyl 3,4-dimethoxybenzoate

IUPAC name

2-(34-dimethoxyphenyl)-2-oxoethyl 34-dimethoxybenzoate

SMILES

COc(ccc(C(COC(c(cc1)cc(OC)c1OC)=O)=O)c1)c1OC

InChI

InChI=1S/C19H20O7/c1-22-15-7-5-12(9-17(15)24-3)14(20)11-26-19(21)13-6-8-16(23-2)18(10-13)25-4/h5-10H,11H2,1-4H3

InChI Key

XDZZNXXRZYKSGM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02933210

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

360.36

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.642

Distribution Coefficient, logD

2.642

Water Solubility, LogSw

-2.75

Polar Surface Area

64.865

Acid Dissociation Constant (pKa)

22.85

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

26.32

8011-7951 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Anti-infective Library (19449 compounds)

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

Human GPCR Annotated Library (5539 compounds)

Akt-Targeted Library (14764 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with 8011-7951 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8011-7951?
Check Price and Availability of 8011-7951, 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 8011-7951 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8011-7951
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8011-7951
  • 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 8011-7951 available by request