V004-5842 Screening compound: 3-{[8-(4-{[(2,3-dichlorophenyl)sulfanyl]methyl}benzoyl)-8-azabicyclo[3.2.1]oct-3-yl]oxy}benzonitrile

V004-5842 Screening compound: 3-{[8-(4-{[(2,3-dichlorophenyl)sulfanyl]methyl}benzoyl)-8-azabicyclo[3.2.1]oct-3-yl]oxy}benzonitrile
V004-5842 Screening compound: 3-{[8-(4-{[(2,3-dichlorophenyl)sulfanyl]methyl}benzoyl)-8-azabicyclo[3.2.1]oct-3-yl]oxy}benzonitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound V004-5842
3-{[8-(4-{[(2,3-dichlorophenyl)sulfanyl]methyl}benzoyl)-8-azabicyclo[3.2.1]oct-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

V004-5842

Molecular Formula

C28H24Cl2N2O2S (C28 H24 Cl2 N2 O2 S)

Compound Name

3-{[8-(4-{[(2,3-dichlorophenyl)sulfanyl]methyl}benzoyl)-8-azabicyclo[3.2.1]oct-3-yl]oxy}benzonitrile

IUPAC name

3-{[8-(4-{[(23-dichlorophenyl)sulfanyl]methyl}benzoyl)-8-azabicyclo[3.2.1]octan-3-yl]oxy}benzonitrile

SMILES

N#Cc1cccc(OC(CC2CC3)CC3N2C(c2ccc(CSc3cccc(Cl)c3Cl)cc2)=O)c1

InChI

InChI=1S/C28H24Cl2N2O2S/c29-25-5-2-6-26(27(25)30)35-17-18-7-9-20(10-8-18)28(33)32-21-11-12-22(32)15-24(14-21)34-23-4-1-3-19(13-23)16-31/h1-10,13,21-22,24H,11-12,14-15,17H2

InChI Key

BDRLRRPOLHFHSJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19945639

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

523.48

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

4.582

Distribution Coefficient, logD

4.582

Water Solubility, LogSw

-4.86

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

28.60

References: we are preparing a list of scientific research reports with V004-5842 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V004-5842?
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What is the minimum amount of V004-5842 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V004-5842
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V004-5842
  • 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 V004-5842 available by request