8020-4288 Screening compound: 3-[(3,4-dimethoxyphenyl)methyl]-4-methoxy-4-oxobutanoic acid

8020-4288 Screening compound: 3-[(3,4-dimethoxyphenyl)methyl]-4-methoxy-4-oxobutanoic acid
8020-4288 Screening compound: 3-[(3,4-dimethoxyphenyl)methyl]-4-methoxy-4-oxobutanoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 8020-4288
3-[(3,4-dimethoxyphenyl)methyl]-4-methoxy-4-oxobutanoic acid

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

8020-4288

Molecular Formula

C14H18O6 (C14 H18 O6)

Compound Name

3-[(3,4-dimethoxyphenyl)methyl]-4-methoxy-4-oxobutanoic acid

IUPAC name

3-[(34-dimethoxyphenyl)methyl]-4-methoxy-4-oxobutanoic acid

SMILES

COC(C(CC(O)=O)Cc(cc1)cc(OC)c1OC)=O

InChI

InChI=1S/C14H18O6/c1-18-11-5-4-9(7-12(11)19-2)6-10(8-13(15)16)14(17)20-3/h4-5,7,10H,6,8H2,1-3H3,(H,15,16)/t10-/m1/s1

InChI Key

DPKYOILHCYHSCU-SNVBAGLBSA-N

MDL Number (MFCD)

MFCD23703648

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

282.29

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

0.788

Distribution Coefficient, logD

-2.179

Water Solubility, LogSw

-1.57

Polar Surface Area

65.057

Acid Dissociation Constant (pKa)

4.43

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

42.90

8020-4288 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

Lipid Metabolism Library (9174 compounds)

Receptor-type Protein Tyrosine Phosphatases Library (3746 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Female
  • Congenital
  • Skin
  • Cardiovascular
  • Metabolic
  • Cancer
  • Digestive system
  • Nervous system
  • Female
  • Metabolic
  • Endocrine
Targets:
  • Kinases
  • Phosphatases
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with 8020-4288 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8020-4288?
Check Price and Availability of 8020-4288, 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 8020-4288 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8020-4288
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8020-4288
  • 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 8020-4288 available by request