V006-8455 Screening compound: 3-(2H-1,3-benzodioxol-5-yloxy)-8-{4-[(phenylsulfanyl)methyl]benzoyl}-8-azabicyclo[3.2.1]octane

V006-8455 Screening compound: 3-(2H-1,3-benzodioxol-5-yloxy)-8-{4-[(phenylsulfanyl)methyl]benzoyl}-8-azabicyclo[3.2.1]octane
V006-8455 Screening compound: 3-(2H-1,3-benzodioxol-5-yloxy)-8-{4-[(phenylsulfanyl)methyl]benzoyl}-8-azabicyclo[3.2.1]octane alternative view

Chemical Structure Depiction of ChemDiv screening compound V006-8455
3-(2H-1,3-benzodioxol-5-yloxy)-8-{4-[(phenylsulfanyl)methyl]benzoyl}-8-azabicyclo[3.2.1]octane

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

V006-8455

Molecular Formula

C28H27NO4S (C28 H27 NO4 S)

Compound Name

3-(2H-1,3-benzodioxol-5-yloxy)-8-{4-[(phenylsulfanyl)methyl]benzoyl}-8-azabicyclo[3.2.1]octane

IUPAC name

3-(2H-13-benzodioxol-5-yloxy)-8-{4-[(phenylsulfanyl)methyl]benzoyl}-8-azabicyclo[3.2.1]octane

SMILES

O=C(c1ccc(CSc2ccccc2)cc1)N(C(CC1)C2)C1CC2Oc(cc1)cc2c1OCO2

InChI

InChI=1S/C28H27NO4S/c30-28(20-8-6-19(7-9-20)17-34-25-4-2-1-3-5-25)29-21-10-11-22(29)15-24(14-21)33-23-12-13-26-27(16-23)32-18-31-26/h1-9,12-13,16,21-22,24H,10-11,14-15,17-18H2

InChI Key

SIBVQJFZSKOTIU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19945329

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

473.59

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.472

Distribution Coefficient, logD

3.472

Water Solubility, LogSw

-3.78

Polar Surface Area

38.864

Acid Dissociation Constant (pKa)

23.88

Base Dissociation Constant (pKb)

-6.36

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

32.14

References: we are preparing a list of scientific research reports with V006-8455 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V006-8455?
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What is the minimum amount of V006-8455 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V006-8455
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V006-8455
  • 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 V006-8455 available by request