V002-6912 Screening compound: benzyl[2-hydroxy-3-(prop-2-en-1-yloxy)propyl][(2-methoxyphenyl)methyl]amine

V002-6912 Screening compound: benzyl[2-hydroxy-3-(prop-2-en-1-yloxy)propyl][(2-methoxyphenyl)methyl]amine
V002-6912 Screening compound: benzyl[2-hydroxy-3-(prop-2-en-1-yloxy)propyl][(2-methoxyphenyl)methyl]amine alternative view

Chemical Structure Depiction of ChemDiv screening compound V002-6912
benzyl[2-hydroxy-3-(prop-2-en-1-yloxy)propyl][(2-methoxyphenyl)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

V002-6912

Molecular Formula

C21H27NO3 (C21 H27 NO3)

Compound Name

benzyl[2-hydroxy-3-(prop-2-en-1-yloxy)propyl][(2-methoxyphenyl)methyl]amine

IUPAC name

benzyl[2-hydroxy-3-(prop-2-en-1-yloxy)propyl][(2-methoxyphenyl)methyl]amine

SMILES

COc1c(CN(CC(COCC=C)O)Cc2ccccc2)cccc1

InChI

InChI=1S/C21H27NO3/c1-3-13-25-17-20(23)16-22(14-18-9-5-4-6-10-18)15-19-11-7-8-12-21(19)24-2/h3-12,20,23H,1,13-17H2,2H3/t20-/m0/s1

InChI Key

JWKDCXDNKCJLCN-FQEVSTJZSA-N

MDL Number (MFCD)

MFCD10454246

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

341.45

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

3.413

Distribution Coefficient, logD

3.342

Water Solubility, LogSw

-3.31

Polar Surface Area

36.553

Acid Dissociation Constant (pKa)

14.75

Base Dissociation Constant (pKb)

6.65

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

33.30

References: we are preparing a list of scientific research reports with V002-6912 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V002-6912?
Check Price and Availability of V002-6912, 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 V002-6912 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V002-6912
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V002-6912
  • 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 V002-6912 available by request