V011-3685 Screening compound: ethyl(2-methylprop-2-en-1-yl)[(4-{3-[3-(trifluoromethyl)phenoxy]-8-azabicyclo[3.2.1]octane-8-carbonyl}phenyl)methyl]amine

V011-3685 Screening compound: ethyl(2-methylprop-2-en-1-yl)[(4-{3-[3-(trifluoromethyl)phenoxy]-8-azabicyclo[3.2.1]octane-8-carbonyl}phenyl)methyl]amine
V011-3685 Screening compound: ethyl(2-methylprop-2-en-1-yl)[(4-{3-[3-(trifluoromethyl)phenoxy]-8-azabicyclo[3.2.1]octane-8-carbonyl}phenyl)methyl]amine alternative view

Chemical Structure Depiction of ChemDiv screening compound V011-3685
ethyl(2-methylprop-2-en-1-yl)[(4-{3-[3-(trifluoromethyl)phenoxy]-8-azabicyclo[3.2.1]octane-8-carbonyl}phenyl)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

V011-3685

Molecular Formula

C28H33F3N2O2 (C28 H33 F3 N2 O2)

Compound Name

ethyl(2-methylprop-2-en-1-yl)[(4-{3-[3-(trifluoromethyl)phenoxy]-8-azabicyclo[3.2.1]octane-8-carbonyl}phenyl)methyl]amine

IUPAC name

ethyl(2-methylprop-2-en-1-yl)[(4-{3-[3-(trifluoromethyl)phenoxy]-8-azabicyclo[3.2.1]octane-8-carbonyl}phenyl)methyl]amine

SMILES

CCN(CC(C)=C)Cc(cc1)ccc1C(N(C(CC1)C2)C1CC2Oc1cccc(C(F)(F)F)c1)=O

InChI

InChI=1S/C28H33F3N2O2/c1-4-32(17-19(2)3)18-20-8-10-21(11-9-20)27(34)33-23-12-13-24(33)16-26(15-23)35-25-7-5-6-22(14-25)28(29,30)31/h5-11,14,23-24,26H,2,4,12-13,15-18H2,1,3H3

InChI Key

BTNHVFZHMCZCMB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19949682

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

486.58

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.279

Distribution Coefficient, logD

3.938

Water Solubility, LogSw

-4.27

Polar Surface Area

25.728

Acid Dissociation Constant (pKa)

23.88

Base Dissociation Constant (pKb)

7.48

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

46.40

V011-3685 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
Agro:
  • Agro

References: we are preparing a list of scientific research reports with V011-3685 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V011-3685?
Check Price and Availability of V011-3685, 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 V011-3685 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V011-3685
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V011-3685
  • 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 V011-3685 available by request