8020-0088 Screening compound: methyl (2Z)-4-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-hydroxy-4-oxobut-2-enoate

8020-0088 Screening compound: methyl (2Z)-4-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-hydroxy-4-oxobut-2-enoate
8020-0088 Screening compound: methyl (2Z)-4-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-hydroxy-4-oxobut-2-enoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8020-0088
methyl (2Z)-4-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-hydroxy-4-oxobut-2-enoate

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

8020-0088

Molecular Formula

C13H12O6 (C13 H12 O6)

Compound Name

methyl (2Z)-4-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-hydroxy-4-oxobut-2-enoate

IUPAC name

methyl (2Z)-4-(23-dihydro-14-benzodioxin-6-yl)-2-hydroxy-4-oxobut-2-enoate

SMILES

COC(/C(/O)=C/C(c(cc1)cc2c1OCCO2)=O)=O

InChI

InChI=1S/C13H12O6/c1-17-13(16)10(15)7-9(14)8-2-3-11-12(6-8)19-5-4-18-11/h2-3,6-7,15H,4-5H2,1H3

InChI Key

KRWDIHPBACQHRQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD09754991

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

264.23

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

0.545

Distribution Coefficient, logD

0.159

Water Solubility, LogSw

-1.57

Polar Surface Area

66.044

Acid Dissociation Constant (pKa)

7.24

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.10

8020-0088 in Drug Discovery

Included in Screening Libraries

Antibacterial Compounds Library (13827 compounds)

Epitranscriptome Focused Small Molecule Library (20952 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Nervous system
  • Hemic and lymphatic
  • Congenital
  • Metabolic
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with 8020-0088 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8020-0088?
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What is the minimum amount of 8020-0088 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8020-0088
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8020-0088
  • 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 8020-0088 available by request