8019-7690 Screening compound: 2-(2,3-dihydro-1,4-benzodioxin-5-yloxy)propanoic acid

8019-7690 Screening compound: 2-(2,3-dihydro-1,4-benzodioxin-5-yloxy)propanoic acid
8019-7690 Screening compound: 2-(2,3-dihydro-1,4-benzodioxin-5-yloxy)propanoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 8019-7690
2-(2,3-dihydro-1,4-benzodioxin-5-yloxy)propanoic 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

8019-7690

Molecular Formula

C11H12O5 (C11 H12 O5)

Compound Name

2-(2,3-dihydro-1,4-benzodioxin-5-yloxy)propanoic acid

IUPAC name

2-(23-dihydro-14-benzodioxin-5-yloxy)propanoic acid

SMILES

CC(C(O)=O)Oc1c2OCCOc2ccc1

InChI

InChI=1S/C11H12O5/c1-7(11(12)13)16-9-4-2-3-8-10(9)15-6-5-14-8/h2-4,7H,5-6H2,1H3,(H,12,13)/t7-/m0/s1

InChI Key

FOLJVNYUBJPVLP-ZETCQYMHSA-N

MDL Number (MFCD)

MFCD09836291

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

224.21

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

1.344

Distribution Coefficient, logD

-2.655

Water Solubility, LogSw

-1.67

Polar Surface Area

51.030

Acid Dissociation Constant (pKa)

3.40

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

36.36

8019-7690 in Drug Discovery

Included in Screening Libraries

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

Fragments Library (11262 compounds)

STING Agonist Library (5895 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Structure:
  • Fragments
Therapeutical areas:
  • Cancer
  • Immune system
Targets:
  • Others
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 8019-7690 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8019-7690?
Check Price and Availability of 8019-7690, 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 8019-7690 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8019-7690
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8019-7690
  • 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 8019-7690 available by request