8019-4355 Screening compound: ({5-[(4,7-dimethoxy-2H-1,3-benzodioxol-5-yl)methyl]-4,5-dihydro-1,2-oxazol-3-yl}methyl)({[3-(4-methoxyphenyl)-1,2-oxazol-5-yl]methyl})amine

8019-4355 Screening compound: ({5-[(4,7-dimethoxy-2H-1,3-benzodioxol-5-yl)methyl]-4,5-dihydro-1,2-oxazol-3-yl}methyl)({[3-(4-methoxyphenyl)-1,2-oxazol-5-yl]methyl})amine
8019-4355 Screening compound: ({5-[(4,7-dimethoxy-2H-1,3-benzodioxol-5-yl)methyl]-4,5-dihydro-1,2-oxazol-3-yl}methyl)({[3-(4-methoxyphenyl)-1,2-oxazol-5-yl]methyl})amine alternative view

Chemical Structure Depiction of ChemDiv screening compound 8019-4355
({5-[(4,7-dimethoxy-2H-1,3-benzodioxol-5-yl)methyl]-4,5-dihydro-1,2-oxazol-3-yl}methyl)({[3-(4-methoxyphenyl)-1,2-oxazol-5-yl]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

8019-4355

Molecular Formula

C25H27N3O7 (C25 H27 N3 O7)

Compound Name

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

IUPAC name

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

SMILES

COc(cc1)ccc1-c1noc(CNCC2=NOC(Cc(cc(c3c4OCO3)OC)c4OC)C2)c1

InChI

InChI=1S/C25H27N3O7/c1-29-18-6-4-15(5-7-18)21-11-20(35-28-21)13-26-12-17-10-19(34-27-17)8-16-9-22(30-2)24-25(23(16)31-3)33-14-32-24/h4-7,9,11,19,26H,8,10,12-14H2,1-3H3/t19-/m1/s1

InChI Key

JRGLEKCRPGQTFC-LJQANCHMSA-N

MDL Number (MFCD)

MFCD10037801

Chemical and Physical Properties

Saltdata

HCl

Molecular Weight

481.51

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

4.120

Distribution Coefficient, logD

4.083

Water Solubility, LogSw

-4.28

Polar Surface Area

94.825

Acid Dissociation Constant (pKa)

21.62

Base Dissociation Constant (pKb)

6.35

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

36.00

References: we are preparing a list of scientific research reports with 8019-4355 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8019-4355?
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What is the minimum amount of 8019-4355 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8019-4355
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8019-4355
  • 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 8019-4355 available by request