V004-5420 Screening compound: 8-(4-{[(3-methoxyphenyl)sulfanyl]methyl}benzoyl)-3-[3-(trifluoromethyl)phenoxy]-8-azabicyclo[3.2.1]octane

V004-5420 Screening compound: 8-(4-{[(3-methoxyphenyl)sulfanyl]methyl}benzoyl)-3-[3-(trifluoromethyl)phenoxy]-8-azabicyclo[3.2.1]octane
V004-5420 Screening compound: 8-(4-{[(3-methoxyphenyl)sulfanyl]methyl}benzoyl)-3-[3-(trifluoromethyl)phenoxy]-8-azabicyclo[3.2.1]octane alternative view

Chemical Structure Depiction of ChemDiv screening compound V004-5420
8-(4-{[(3-methoxyphenyl)sulfanyl]methyl}benzoyl)-3-[3-(trifluoromethyl)phenoxy]-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

V004-5420

Molecular Formula

C29H28F3NO3S (C29 H28 F3 NO3 S)

Compound Name

8-(4-{[(3-methoxyphenyl)sulfanyl]methyl}benzoyl)-3-[3-(trifluoromethyl)phenoxy]-8-azabicyclo[3.2.1]octane

IUPAC name

8-(4-{[(3-methoxyphenyl)sulfanyl]methyl}benzoyl)-3-[3-(trifluoromethyl)phenoxy]-8-azabicyclo[3.2.1]octane

SMILES

COc1cccc(SCc(cc2)ccc2C(N(C(CC2)C3)C2CC3Oc2cc(C(F)(F)F)ccc2)=O)c1

InChI

InChI=1S/C29H28F3NO3S/c1-35-24-5-3-7-27(17-24)37-18-19-8-10-20(11-9-19)28(34)33-22-12-13-23(33)16-26(15-22)36-25-6-2-4-21(14-25)29(30,31)32/h2-11,14,17,22-23,26H,12-13,15-16,18H2,1H3

InChI Key

JMVJDVLQGJQFOG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19945405

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

527.61

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.595

Distribution Coefficient, logD

4.595

Water Solubility, LogSw

-4.53

Polar Surface Area

29.293

Acid Dissociation Constant (pKa)

23.88

Base Dissociation Constant (pKb)

-6.36

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

34.50

References: we are preparing a list of scientific research reports with V004-5420 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V004-5420?
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What is the minimum amount of V004-5420 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V004-5420
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V004-5420
  • 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 V004-5420 available by request