V016-8970 Screening compound: 1-{[(2H-1,3-benzodioxol-5-yl)methyl][(2-fluorophenyl)methyl]amino}-3-(2-methylphenoxy)propan-2-ol

V016-8970 Screening compound: 1-{[(2H-1,3-benzodioxol-5-yl)methyl][(2-fluorophenyl)methyl]amino}-3-(2-methylphenoxy)propan-2-ol
V016-8970 Screening compound: 1-{[(2H-1,3-benzodioxol-5-yl)methyl][(2-fluorophenyl)methyl]amino}-3-(2-methylphenoxy)propan-2-ol alternative view

Chemical Structure Depiction of ChemDiv screening compound V016-8970
1-{[(2H-1,3-benzodioxol-5-yl)methyl][(2-fluorophenyl)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

V016-8970

Molecular Formula

C25H26FNO4 (C25 H26 FNO4)

Compound Name

1-{[(2H-1,3-benzodioxol-5-yl)methyl][(2-fluorophenyl)methyl]amino}-3-(2-methylphenoxy)propan-2-ol

IUPAC name

1-{[(2H-13-benzodioxol-5-yl)methyl][(2-fluorophenyl)methyl]amino}-3-(2-methylphenoxy)propan-2-ol

SMILES

Cc(cccc1)c1OCC(CN(Cc(cc1)cc2c1OCO2)Cc(cccc1)c1F)O

InChI

InChI=1S/C25H26FNO4/c1-18-6-2-5-9-23(18)29-16-21(28)15-27(14-20-7-3-4-8-22(20)26)13-19-10-11-24-25(12-19)31-17-30-24/h2-12,21,28H,13-17H2,1H3/t21-/m0/s1

InChI Key

REAWUZKHLWMDIY-NRFANRHFSA-N

MDL Number (MFCD)

MFCD14262814

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

423.48

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.401

Distribution Coefficient, logD

5.107

Water Solubility, LogSw

-5.43

Polar Surface Area

44.999

Acid Dissociation Constant (pKa)

16.26

Base Dissociation Constant (pKb)

7.38

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

28.00

References: we are preparing a list of scientific research reports with V016-8970 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V016-8970?
Check Price and Availability of V016-8970, 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 V016-8970 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V016-8970
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V016-8970
  • 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 V016-8970 available by request