V022-0902 Screening compound: {[3-(2H-1,3-benzodioxol-5-yl)-4,5-dihydro-1,2-oxazol-5-yl]methyl}[3-(tert-butoxy)-2-hydroxypropyl][(2-chlorophenyl)methyl]amine

V022-0902 Screening compound: {[3-(2H-1,3-benzodioxol-5-yl)-4,5-dihydro-1,2-oxazol-5-yl]methyl}[3-(tert-butoxy)-2-hydroxypropyl][(2-chlorophenyl)methyl]amine
V022-0902 Screening compound: {[3-(2H-1,3-benzodioxol-5-yl)-4,5-dihydro-1,2-oxazol-5-yl]methyl}[3-(tert-butoxy)-2-hydroxypropyl][(2-chlorophenyl)methyl]amine alternative view

Chemical Structure Depiction of ChemDiv screening compound V022-0902
{[3-(2H-1,3-benzodioxol-5-yl)-4,5-dihydro-1,2-oxazol-5-yl]methyl}[3-(tert-butoxy)-2-hydroxypropyl][(2-chlorophenyl)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

V022-0902

Molecular Formula

C25H31ClN2O5 (C25 H31 ClN2 O5)

Compound Name

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

IUPAC name

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

SMILES

CC(C)(C)OCC(CN(CC(C1)ON=C1c(cc1)cc2c1OCO2)Cc(cccc1)c1Cl)O

InChI

InChI=1S/C25H31ClN2O5/c1-25(2,3)32-15-19(29)13-28(12-18-6-4-5-7-21(18)26)14-20-11-22(27-33-20)17-8-9-23-24(10-17)31-16-30-23/h4-10,19-20,29H,11-16H2,1-3H3

InChI Key

BZLVYKWTJBNSBW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19869260

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

474.98

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.135

Distribution Coefficient, logD

5.129

Water Solubility, LogSw

-5.59

Polar Surface Area

67.234

Acid Dissociation Constant (pKa)

14.75

Base Dissociation Constant (pKb)

5.57

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

48.00

References: we are preparing a list of scientific research reports with V022-0902 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V022-0902?
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What is the minimum amount of V022-0902 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V022-0902
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V022-0902
  • 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 V022-0902 available by request