8020-4290 Screening compound: 1,4-dimethyl 2-[(4-methoxyphenyl)methyl]butanedioate

8020-4290 Screening compound: 1,4-dimethyl 2-[(4-methoxyphenyl)methyl]butanedioate
8020-4290 Screening compound: 1,4-dimethyl 2-[(4-methoxyphenyl)methyl]butanedioate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8020-4290
1,4-dimethyl 2-[(4-methoxyphenyl)methyl]butanedioate

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

8020-4290

Molecular Formula

C14H18O5 (C14 H18 O5)

Compound Name

1,4-dimethyl 2-[(4-methoxyphenyl)methyl]butanedioate

IUPAC name

14-dimethyl 2-[(4-methoxyphenyl)methyl]butanedioate

SMILES

COC(CC(Cc(cc1)ccc1OC)C(OC)=O)=O

InChI

InChI=1S/C14H18O5/c1-17-12-6-4-10(5-7-12)8-11(14(16)19-3)9-13(15)18-2/h4-7,11H,8-9H2,1-3H3/t11-/m1/s1

InChI Key

PEISRBZCWDSMKY-LLVKDONJSA-N

MDL Number (MFCD)

MFCD23703650

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

266.29

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.250

Distribution Coefficient, logD

2.250

Water Solubility, LogSw

-2.42

Polar Surface Area

49.535

Acid Dissociation Constant (pKa)

21.01

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

42.90

8020-4290 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

Antiparasite Library (23996 compounds)

Cardiovascular Library (22201 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
  • Infections
  • Immune system
  • animal
  • Cardiovascular
  • Cardiovascular
  • Metabolic
  • Cancer
  • Digestive system
  • Nervous system
  • Female
  • Metabolic
  • Endocrine
Targets:
  • Kinases
  • Phosphatases
Agro:
  • Agro
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with 8020-4290 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8020-4290?
Check Price and Availability of 8020-4290, 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 8020-4290 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8020-4290
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8020-4290
  • 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 8020-4290 available by request