8019-4419 Screening compound: ({5-[(4,7-dimethoxy-2H-1,3-benzodioxol-5-yl)methyl]-4,5-dihydro-1,2-oxazol-3-yl}methyl)[(4-methoxyphenyl)methyl]amine

8019-4419 Screening compound: ({5-[(4,7-dimethoxy-2H-1,3-benzodioxol-5-yl)methyl]-4,5-dihydro-1,2-oxazol-3-yl}methyl)[(4-methoxyphenyl)methyl]amine
8019-4419 Screening compound: ({5-[(4,7-dimethoxy-2H-1,3-benzodioxol-5-yl)methyl]-4,5-dihydro-1,2-oxazol-3-yl}methyl)[(4-methoxyphenyl)methyl]amine alternative view

Chemical Structure Depiction of ChemDiv screening compound 8019-4419
({5-[(4,7-dimethoxy-2H-1,3-benzodioxol-5-yl)methyl]-4,5-dihydro-1,2-oxazol-3-yl}methyl)[(4-methoxyphenyl)methyl]amine

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

8019-4419

Molecular Formula

C22H26N2O6 (C22 H26 N2 O6)

Compound Name

({5-[(4,7-dimethoxy-2H-1,3-benzodioxol-5-yl)methyl]-4,5-dihydro-1,2-oxazol-3-yl}methyl)[(4-methoxyphenyl)methyl]amine

IUPAC name

({5-[(47-dimethoxy-2H-13-benzodioxol-5-yl)methyl]-45-dihydro-12-oxazol-3-yl}methyl)[(4-methoxyphenyl)methyl]amine

SMILES

COc1ccc(CNCC2=NOC(Cc(cc(c3c4OCO3)OC)c4OC)C2)cc1

InChI

InChI=1S/C22H26N2O6/c1-25-17-6-4-14(5-7-17)11-23-12-16-10-18(30-24-16)8-15-9-19(26-2)21-22(20(15)27-3)29-13-28-21/h4-7,9,18,23H,8,10-13H2,1-3H3/t18-/m0/s1

InChI Key

SGKRLRARCDKAPH-SFHVURJKSA-N

MDL Number (MFCD)

MFCD10037857

Chemical and Physical Properties

Saltdata

0.5HOOCCOOH

Molecular Weight

414.46

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.108

Distribution Coefficient, logD

3.012

Water Solubility, LogSw

-3.26

Polar Surface Area

74.119

Acid Dissociation Constant (pKa)

21.62

Base Dissociation Constant (pKb)

6.79

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

40.90

References: we are preparing a list of scientific research reports with 8019-4419 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8019-4419?
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What is the minimum amount of 8019-4419 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8019-4419
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8019-4419
  • 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 8019-4419 available by request