V006-8480 Screening compound: 3-{[8-(4-{[(3-methylphenyl)sulfanyl]methyl}benzoyl)-8-azabicyclo[3.2.1]octan-3-yl]oxy}benzonitrile

V006-8480 Screening compound: 3-{[8-(4-{[(3-methylphenyl)sulfanyl]methyl}benzoyl)-8-azabicyclo[3.2.1]octan-3-yl]oxy}benzonitrile
V006-8480 Screening compound: 3-{[8-(4-{[(3-methylphenyl)sulfanyl]methyl}benzoyl)-8-azabicyclo[3.2.1]octan-3-yl]oxy}benzonitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound V006-8480
3-{[8-(4-{[(3-methylphenyl)sulfanyl]methyl}benzoyl)-8-azabicyclo[3.2.1]octan-3-yl]oxy}benzonitrile

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

V006-8480

Molecular Formula

C29H28N2O2S (C29 H28 N2 O2 S)

Compound Name

3-{[8-(4-{[(3-methylphenyl)sulfanyl]methyl}benzoyl)-8-azabicyclo[3.2.1]octan-3-yl]oxy}benzonitrile

IUPAC name

3-{[8-(4-{[(3-methylphenyl)sulfanyl]methyl}benzoyl)-8-azabicyclo[3.2.1]octan-3-yl]oxy}benzonitrile

SMILES

Cc1cccc(SCc(cc2)ccc2C(N(C(CC2)C3)C2CC3Oc2cc(C#N)ccc2)=O)c1

InChI

InChI=1S/C29H28N2O2S/c1-20-4-2-7-28(14-20)34-19-21-8-10-23(11-9-21)29(32)31-24-12-13-25(31)17-27(16-24)33-26-6-3-5-22(15-26)18-30/h2-11,14-15,24-25,27H,12-13,16-17,19H2,1H3

InChI Key

JXCGQHQWJBHXBD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19945494

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

468.62

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

3.858

Distribution Coefficient, logD

3.858

Water Solubility, LogSw

-3.92

Polar Surface Area

38.805

Acid Dissociation Constant (pKa)

23.88

Base Dissociation Constant (pKb)

-6.36

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

31.00

References: we are preparing a list of scientific research reports with V006-8480 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V006-8480?
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What is the minimum amount of V006-8480 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V006-8480
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V006-8480
  • 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 V006-8480 available by request