8019-8528 Screening compound: (2E)-3-(7-methoxy-2H-1,3-benzodioxol-5-yl)prop-2-enoic acid

8019-8528 Screening compound: (2E)-3-(7-methoxy-2H-1,3-benzodioxol-5-yl)prop-2-enoic acid
8019-8528 Screening compound: (2E)-3-(7-methoxy-2H-1,3-benzodioxol-5-yl)prop-2-enoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 8019-8528
(2E)-3-(7-methoxy-2H-1,3-benzodioxol-5-yl)prop-2-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

8019-8528

Molecular Formula

C11H10O5 (C11 H10 O5)

Compound Name

(2E)-3-(7-methoxy-2H-1,3-benzodioxol-5-yl)prop-2-enoic acid

IUPAC name

(2E)-3-(7-methoxy-2H-13-benzodioxol-5-yl)prop-2-enoic acid

SMILES

COc1c2OCOc2cc(/C=C/C(O)=O)c1

InChI

InChI=1S/C11H10O5/c1-14-8-4-7(2-3-10(12)13)5-9-11(8)16-6-15-9/h2-5H,6H2,1H3,(H,12,13)

InChI Key

TWUVAPFWYKZLOT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03002883

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

222.2

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

1.969

Distribution Coefficient, logD

-1.222

Water Solubility, LogSw

-1.98

Polar Surface Area

53.052

Acid Dissociation Constant (pKa)

4.21

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

18.20

8019-8528 in Drug Discovery

Included in Screening Libraries

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 8019-8528 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8019-8528?
Check Price and Availability of 8019-8528, 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 8019-8528 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8019-8528
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8019-8528
  • 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 8019-8528 available by request