8020-5056 Screening compound: (3E)-3-(methoxycarbonyl)-4-(3-methoxyphenyl)but-3-enoic acid

8020-5056 Screening compound: (3E)-3-(methoxycarbonyl)-4-(3-methoxyphenyl)but-3-enoic acid
8020-5056 Screening compound: (3E)-3-(methoxycarbonyl)-4-(3-methoxyphenyl)but-3-enoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 8020-5056
(3E)-3-(methoxycarbonyl)-4-(3-methoxyphenyl)but-3-enoic 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

8020-5056

Molecular Formula

C13H14O5 (C13 H14 O5)

Compound Name

(3E)-3-(methoxycarbonyl)-4-(3-methoxyphenyl)but-3-enoic acid

IUPAC name

(3E)-3-(methoxycarbonyl)-4-(3-methoxyphenyl)but-3-enoic acid

SMILES

COC(/C(/CC(O)=O)=C/c1cc(OC)ccc1)=O

InChI

InChI=1S/C13H14O5/c1-17-11-5-3-4-9(7-11)6-10(8-12(14)15)13(16)18-2/h3-7H,8H2,1-2H3,(H,14,15)

InChI Key

ZIQIVEIHXZFPPG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD23703685

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

250.25

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

1.692

Distribution Coefficient, logD

-1.420

Water Solubility, LogSw

-1.83

Polar Surface Area

57.340

Acid Dissociation Constant (pKa)

4.29

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.10

8020-5056 in Drug Discovery

Included in Screening Libraries

STING Agonist Library (5895 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Receptor-type Protein Tyrosine Phosphatases Library (3746 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Immune system
  • Cancer
  • Digestive system
  • Nervous system
  • Female
  • Metabolic
  • Endocrine
Targets:
  • Others
  • Phosphatases
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with 8020-5056 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8020-5056?
Check Price and Availability of 8020-5056, 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 8020-5056 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8020-5056
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8020-5056
  • 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 8020-5056 available by request