8020-1939 Screening compound: 2,3-dihydro-1,4-benzodioxine-6-carboxylic acid

8020-1939 Screening compound: 2,3-dihydro-1,4-benzodioxine-6-carboxylic acid
8020-1939 Screening compound: 2,3-dihydro-1,4-benzodioxine-6-carboxylic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 8020-1939
2,3-dihydro-1,4-benzodioxine-6-carboxylic 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

8020-1939

Molecular Formula

C9H8O4 (C9 H8 O4)

Compound Name

2,3-dihydro-1,4-benzodioxine-6-carboxylic acid

IUPAC name

23-dihydro-14-benzodioxine-6-carboxylic acid

SMILES

OC(c(cc1)cc2c1OCCO2)=O

InChI

InChI=1S/C9H8O4/c10-9(11)6-1-2-7-8(5-6)13-4-3-12-7/h1-2,5H,3-4H2,(H,10,11)

InChI Key

JWZQJTGQFHIRFQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00463509

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

180.16

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

1.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

1.075

Distribution Coefficient, logD

-0.973

Water Solubility, LogSw

-1.72

Polar Surface Area

44.470

Acid Dissociation Constant (pKa)

5.36

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

22.20

8020-1939 in Drug Discovery

Included in Screening Libraries

Cardiovascular Library (22201 compounds)

STING Agonist Library (5895 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cardiovascular
  • Cancer
  • Immune system
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • Others
  • Phosphatases

References: we are preparing a list of scientific research reports with 8020-1939 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8020-1939?
Check Price and Availability of 8020-1939, 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 8020-1939 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8020-1939
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8020-1939
  • 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 8020-1939 available by request