V003-3112 Screening compound: [3-(benzyloxy)-2-hydroxypropyl][(2,4-dimethylphenyl)methyl][2-(morpholin-4-yl)ethyl]amine

V003-3112 Screening compound: [3-(benzyloxy)-2-hydroxypropyl][(2,4-dimethylphenyl)methyl][2-(morpholin-4-yl)ethyl]amine
V003-3112 Screening compound: [3-(benzyloxy)-2-hydroxypropyl][(2,4-dimethylphenyl)methyl][2-(morpholin-4-yl)ethyl]amine alternative view

Chemical Structure Depiction of ChemDiv screening compound V003-3112
[3-(benzyloxy)-2-hydroxypropyl][(2,4-dimethylphenyl)methyl][2-(morpholin-4-yl)ethyl]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

V003-3112

Molecular Formula

C25H36N2O3 (C25 H36 N2 O3)

Compound Name

[3-(benzyloxy)-2-hydroxypropyl][(2,4-dimethylphenyl)methyl][2-(morpholin-4-yl)ethyl]amine

IUPAC name

[3-(benzyloxy)-2-hydroxypropyl][(24-dimethylphenyl)methyl][2-(morpholin-4-yl)ethyl]amine

SMILES

Cc1cc(C)c(CN(CCN2CCOCC2)CC(COCc2ccccc2)O)cc1

InChI

InChI=1S/C25H36N2O3/c1-21-8-9-24(22(2)16-21)17-27(11-10-26-12-14-29-15-13-26)18-25(28)20-30-19-23-6-4-3-5-7-23/h3-9,16,25,28H,10-15,17-20H2,1-2H3/t25-/m0/s1

InChI Key

FFQCSGFPJKCLQQ-VWLOTQADSA-N

MDL Number (MFCD)

MFCD19837042

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

412.57

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.497

Distribution Coefficient, logD

3.416

Water Solubility, LogSw

-3.32

Polar Surface Area

40.602

Acid Dissociation Constant (pKa)

14.75

Base Dissociation Constant (pKb)

6.71

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

52.00

V003-3112 in Drug Discovery

Included in Screening Libraries

3CLpro Library (4801 compounds)

3D-Pharmacophore Based Diversity Library (49813 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 V003-3112 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V003-3112?
Check Price and Availability of V003-3112, 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 V003-3112 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V003-3112
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V003-3112
  • 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 V003-3112 available by request