8020-5070 Screening compound: 3-(7-methoxy-2H-1,3-benzodioxol-5-yl)propane-1,2-diol

8020-5070 Screening compound: 3-(7-methoxy-2H-1,3-benzodioxol-5-yl)propane-1,2-diol
8020-5070 Screening compound: 3-(7-methoxy-2H-1,3-benzodioxol-5-yl)propane-1,2-diol alternative view

Chemical Structure Depiction of ChemDiv screening compound 8020-5070
3-(7-methoxy-2H-1,3-benzodioxol-5-yl)propane-1,2-diol

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

8020-5070

Molecular Formula

C11H14O5 (C11 H14 O5)

Compound Name

3-(7-methoxy-2H-1,3-benzodioxol-5-yl)propane-1,2-diol

IUPAC name

3-(7-methoxy-2H-13-benzodioxol-5-yl)propane-12-diol

SMILES

COc1c2OCOc2cc(CC(CO)O)c1

InChI

InChI=1S/C11H14O5/c1-14-9-3-7(2-8(13)5-12)4-10-11(9)16-6-15-10/h3-4,8,12-13H,2,5-6H2,1H3/t8-/m0/s1

InChI Key

AWESBQDPCBCYFU-QMMMGPOBSA-N

MDL Number (MFCD)

MFCD23703687

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

226.23

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

0.948

Distribution Coefficient, logD

0.948

Water Solubility, LogSw

-1.47

Polar Surface Area

58.403

Acid Dissociation Constant (pKa)

14.72

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

45.50

8020-5070 in Drug Discovery

Included in Screening Libraries

Cardiovascular Library (22201 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cardiovascular

References: we are preparing a list of scientific research reports with 8020-5070 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8020-5070?
Check Price and Availability of 8020-5070, 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 8020-5070 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8020-5070
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8020-5070
  • 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 8020-5070 available by request