V003-8642 Screening compound: {[3-(2H-1,3-benzodioxol-5-yl)-4,5-dihydro-1,2-oxazol-5-yl]methyl}[(2-chlorophenyl)methyl][2-hydroxy-3-(2-methylpropoxy)propyl]amine

V003-8642 Screening compound: {[3-(2H-1,3-benzodioxol-5-yl)-4,5-dihydro-1,2-oxazol-5-yl]methyl}[(2-chlorophenyl)methyl][2-hydroxy-3-(2-methylpropoxy)propyl]amine
V003-8642 Screening compound: {[3-(2H-1,3-benzodioxol-5-yl)-4,5-dihydro-1,2-oxazol-5-yl]methyl}[(2-chlorophenyl)methyl][2-hydroxy-3-(2-methylpropoxy)propyl]amine alternative view

Chemical Structure Depiction of ChemDiv screening compound V003-8642
{[3-(2H-1,3-benzodioxol-5-yl)-4,5-dihydro-1,2-oxazol-5-yl]methyl}[(2-chlorophenyl)methyl][2-hydroxy-3-(2-methylpropoxy)propyl]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

V003-8642

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}[(2-chlorophenyl)methyl][2-hydroxy-3-(2-methylpropoxy)propyl]amine

IUPAC name

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

SMILES

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

InChI

InChI=1S/C25H31ClN2O5/c1-17(2)14-30-15-20(29)12-28(11-19-5-3-4-6-22(19)26)13-21-10-23(27-33-21)18-7-8-24-25(9-18)32-16-31-24/h3-9,17,20-21,29H,10-16H2,1-2H3

InChI Key

XXXNFWGBJHDODV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19979059

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

11.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.891

Distribution Coefficient, logD

4.884

Water Solubility, LogSw

-4.89

Polar Surface Area

68.955

Acid Dissociation Constant (pKa)

14.75

Base Dissociation Constant (pKb)

5.60

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

48.00

V003-8642 in Drug Discovery

Included in Screening Libraries

3CLpro Library (4801 compounds)

CORONAVIRUS Library (20774 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with V003-8642 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V003-8642?
Check Price and Availability of V003-8642, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of V003-8642 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V003-8642
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V003-8642
  • 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 V003-8642 available by request