8019-4363 Screening compound: [(2-chlorophenyl)methyl]({5-[(4,7-dimethoxy-2H-1,3-benzodioxol-5-yl)methyl]-4,5-dihydro-1,2-oxazol-3-yl}methyl)amine

8019-4363 Screening compound: [(2-chlorophenyl)methyl]({5-[(4,7-dimethoxy-2H-1,3-benzodioxol-5-yl)methyl]-4,5-dihydro-1,2-oxazol-3-yl}methyl)amine
8019-4363 Screening compound: [(2-chlorophenyl)methyl]({5-[(4,7-dimethoxy-2H-1,3-benzodioxol-5-yl)methyl]-4,5-dihydro-1,2-oxazol-3-yl}methyl)amine alternative view

Chemical Structure Depiction of ChemDiv screening compound 8019-4363
[(2-chlorophenyl)methyl]({5-[(4,7-dimethoxy-2H-1,3-benzodioxol-5-yl)methyl]-4,5-dihydro-1,2-oxazol-3-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

8019-4363

Molecular Formula

C21H23ClN2O5 (C21 H23 ClN2 O5)

Compound Name

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

IUPAC name

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

SMILES

COc(c1c2OCO1)cc(CC1ON=C(CNCc(cccc3)c3Cl)C1)c2OC

InChI

InChI=1S/C21H23ClN2O5/c1-25-18-8-14(19(26-2)21-20(18)27-12-28-21)7-16-9-15(24-29-16)11-23-10-13-5-3-4-6-17(13)22/h3-6,8,16,23H,7,9-12H2,1-2H3/t16-/m1/s1

InChI Key

JVMJRTFRSXRUCN-MRXNPFEDSA-N

MDL Number (MFCD)

MFCD10037809

Chemical and Physical Properties

Saltdata

HCl

Molecular Weight

418.88

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.873

Distribution Coefficient, logD

3.821

Water Solubility, LogSw

-4.23

Polar Surface Area

66.575

Acid Dissociation Constant (pKa)

21.62

Base Dissociation Constant (pKb)

6.50

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

38.10

References: we are preparing a list of scientific research reports with 8019-4363 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8019-4363?
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What is the minimum amount of 8019-4363 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8019-4363
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8019-4363
  • 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 8019-4363 available by request