V012-8078 Screening compound: benzyl[2-hydroxy-3-(prop-2-yn-1-yloxy)propyl][(4-methylphenyl)methyl]amine

V012-8078 Screening compound: benzyl[2-hydroxy-3-(prop-2-yn-1-yloxy)propyl][(4-methylphenyl)methyl]amine
V012-8078 Screening compound: benzyl[2-hydroxy-3-(prop-2-yn-1-yloxy)propyl][(4-methylphenyl)methyl]amine alternative view

Chemical Structure Depiction of ChemDiv screening compound V012-8078
benzyl[2-hydroxy-3-(prop-2-yn-1-yloxy)propyl][(4-methylphenyl)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

V012-8078

Molecular Formula

C21H25NO2 (C21 H25 NO2)

Compound Name

benzyl[2-hydroxy-3-(prop-2-yn-1-yloxy)propyl][(4-methylphenyl)methyl]amine

IUPAC name

benzyl[2-hydroxy-3-(prop-2-yn-1-yloxy)propyl][(4-methylphenyl)methyl]amine

SMILES

Cc1ccc(CN(CC(COCC#C)O)Cc2ccccc2)cc1

InChI

InChI=1S/C21H25NO2/c1-3-13-24-17-21(23)16-22(14-19-7-5-4-6-8-19)15-20-11-9-18(2)10-12-20/h1,4-12,21,23H,13-17H2,2H3/t21-/m0/s1

InChI Key

RSFMYHPVFPAWDS-NRFANRHFSA-N

MDL Number (MFCD)

MFCD10454166

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

323.44

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

3.487

Distribution Coefficient, logD

3.400

Water Solubility, LogSw

-3.23

Polar Surface Area

28.923

Acid Dissociation Constant (pKa)

14.75

Base Dissociation Constant (pKb)

6.75

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

33.30

V012-8078 in Drug Discovery

Included in Screening Libraries

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with V012-8078 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V012-8078?
Check Price and Availability of V012-8078, 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 V012-8078 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V012-8078
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V012-8078
  • 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 V012-8078 available by request