V016-4783 Screening compound: 1-{[(furan-2-yl)methyl][(3-methylphenyl)methyl]amino}-3-(2-methylphenoxy)propan-2-ol

V016-4783 Screening compound: 1-{[(furan-2-yl)methyl][(3-methylphenyl)methyl]amino}-3-(2-methylphenoxy)propan-2-ol
V016-4783 Screening compound: 1-{[(furan-2-yl)methyl][(3-methylphenyl)methyl]amino}-3-(2-methylphenoxy)propan-2-ol alternative view

Chemical Structure Depiction of ChemDiv screening compound V016-4783
1-{[(furan-2-yl)methyl][(3-methylphenyl)methyl]amino}-3-(2-methylphenoxy)propan-2-ol

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

V016-4783

Molecular Formula

C23H27NO3 (C23 H27 NO3)

Compound Name

1-{[(furan-2-yl)methyl][(3-methylphenyl)methyl]amino}-3-(2-methylphenoxy)propan-2-ol

IUPAC name

1-{[(furan-2-yl)methyl][(3-methylphenyl)methyl]amino}-3-(2-methylphenoxy)propan-2-ol

SMILES

Cc1cccc(CN(CC(COc2c(C)cccc2)O)Cc2ccco2)c1

InChI

InChI=1S/C23H27NO3/c1-18-7-5-9-20(13-18)14-24(16-22-10-6-12-26-22)15-21(25)17-27-23-11-4-3-8-19(23)2/h3-13,21,25H,14-17H2,1-2H3/t21-/m0/s1

InChI Key

IKNXUGKDFSNQDJ-NRFANRHFSA-N

MDL Number (MFCD)

MFCD19836805

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

365.47

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

5.289

Distribution Coefficient, logD

5.248

Water Solubility, LogSw

-5.33

Polar Surface Area

35.633

Acid Dissociation Constant (pKa)

16.26

Base Dissociation Constant (pKb)

6.40

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

30.40

V016-4783 in Drug Discovery

Included in Screening Libraries

CNS BBB Library (22607 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system

References: we are preparing a list of scientific research reports with V016-4783 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V016-4783?
Check Price and Availability of V016-4783, 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 V016-4783 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V016-4783
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V016-4783
  • 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 V016-4783 available by request