V004-5278 Screening compound: benzyl(butyl)({4-[3-(2,4-difluorophenoxy)-8-azabicyclo[3.2.1]octane-8-carbonyl]phenyl}methyl)amine

V004-5278 Screening compound: benzyl(butyl)({4-[3-(2,4-difluorophenoxy)-8-azabicyclo[3.2.1]octane-8-carbonyl]phenyl}methyl)amine
V004-5278 Screening compound: benzyl(butyl)({4-[3-(2,4-difluorophenoxy)-8-azabicyclo[3.2.1]octane-8-carbonyl]phenyl}methyl)amine alternative view

Chemical Structure Depiction of ChemDiv screening compound V004-5278
benzyl(butyl)({4-[3-(2,4-difluorophenoxy)-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

V004-5278

Molecular Formula

C32H36F2N2O2 (C32 H36 F2 N2 O2)

Compound Name

benzyl(butyl)({4-[3-(2,4-difluorophenoxy)-8-azabicyclo[3.2.1]octane-8-carbonyl]phenyl}methyl)amine

IUPAC name

benzyl(butyl)({4-[3-(24-difluorophenoxy)-8-azabicyclo[3.2.1]octane-8-carbonyl]phenyl}methyl)amine

SMILES

CCCCN(Cc1ccccc1)Cc(cc1)ccc1C(N(C(CC1)C2)C1CC2Oc(ccc(F)c1)c1F)=O

InChI

InChI=1S/C32H36F2N2O2/c1-2-3-17-35(21-23-7-5-4-6-8-23)22-24-9-11-25(12-10-24)32(37)36-27-14-15-28(36)20-29(19-27)38-31-16-13-26(33)18-30(31)34/h4-13,16,18,27-29H,2-3,14-15,17,19-22H2,1H3

InChI Key

BGGQKKPUFQGPAD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19949698

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

518.65

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.946

Distribution Coefficient, logD

4.407

Water Solubility, LogSw

-4.56

Polar Surface Area

25.797

Acid Dissociation Constant (pKa)

23.88

Base Dissociation Constant (pKb)

7.79

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

40.60

References: we are preparing a list of scientific research reports with V004-5278 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V004-5278?
Check Price and Availability of V004-5278, 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 V004-5278 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V004-5278
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V004-5278
  • 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 V004-5278 available by request