8020-8645 Screening compound: 4-[5-(1,3-benzodioxol-5-ylmethyl)-4,5-dihydro-3-isoxazolyl]-2,6-dimethoxyphenyl methyl ether

8020-8645 Screening compound: 4-[5-(1,3-benzodioxol-5-ylmethyl)-4,5-dihydro-3-isoxazolyl]-2,6-dimethoxyphenyl methyl ether
8020-8645 Screening compound: 4-[5-(1,3-benzodioxol-5-ylmethyl)-4,5-dihydro-3-isoxazolyl]-2,6-dimethoxyphenyl methyl ether alternative view

Chemical Structure Depiction of ChemDiv screening compound 8020-8645
4-[5-(1,3-benzodioxol-5-ylmethyl)-4,5-dihydro-3-isoxazolyl]-2,6-dimethoxyphenyl methyl ether

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

8020-8645

Molecular Formula

C20H21NO6 (C20 H21 NO6)

Compound Name

4-[5-(1,3-benzodioxol-5-ylmethyl)-4,5-dihydro-3-isoxazolyl]-2,6-dimethoxyphenyl methyl ether

IUPAC name

5-[(2H-13-benzodioxol-5-yl)methyl]-3-(345-trimethoxyphenyl)-45-dihydro-12-oxazole

SMILES

COc1cc(C2=NOC(Cc(cc3)cc4c3OCO4)C2)cc(OC)c1OC

InChI

InChI=1S/C20H21NO6/c1-22-18-8-13(9-19(23-2)20(18)24-3)15-10-14(27-21-15)6-12-4-5-16-17(7-12)26-11-25-16/h4-5,7-9,14H,6,10-11H2,1-3H3/t14-/m0/s1

InChI Key

NYGLXDCLYDHBPD-AWEZNQCLSA-N

MDL Number (MFCD)

MFCD30711843

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

371.39

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.714

Distribution Coefficient, logD

3.714

Water Solubility, LogSw

-4.03

Polar Surface Area

62.896

Acid Dissociation Constant (pKa)

21.43

Base Dissociation Constant (pKb)

0.86

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

35.00

References: we are preparing a list of scientific research reports with 8020-8645 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8020-8645?
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What is the minimum amount of 8020-8645 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8020-8645
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8020-8645
  • 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 8020-8645 available by request