8020-4144 Screening compound: 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxotetrahydro-3-furancarboxylic acid

8020-4144 Screening compound: 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxotetrahydro-3-furancarboxylic acid
8020-4144 Screening compound: 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxotetrahydro-3-furancarboxylic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 8020-4144
2-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxotetrahydro-3-furancarboxylic 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

8020-4144

Molecular Formula

C13H12O6 (C13 H12 O6)

Compound Name

2-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxotetrahydro-3-furancarboxylic acid

IUPAC name

2-(23-dihydro-14-benzodioxin-6-yl)-5-oxooxolane-3-carboxylic acid

SMILES

OC(C(C1)C(c(cc2)cc3c2OCCO3)OC1=O)=O

InChI

InChI=1S/C13H12O6/c14-11-6-8(13(15)16)12(19-11)7-1-2-9-10(5-7)18-4-3-17-9/h1-2,5,8,12H,3-4,6H2,(H,15,16)

InChI Key

XRSPFSAIGMZJDZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD25975709

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

2.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

-0.148

Distribution Coefficient, logD

-2.960

Water Solubility, LogSw

-1.79

Polar Surface Area

65.761

Acid Dissociation Constant (pKa)

4.59

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

38.46

8020-4144 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

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

STING Agonist Library (5895 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Immune system
Targets:
  • Others

References: we are preparing a list of scientific research reports with 8020-4144 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8020-4144?
Check Price and Availability of 8020-4144, 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 8020-4144 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8020-4144
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8020-4144
  • 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 8020-4144 available by request