V008-4514 Screening compound: 3-{[8-(4-{[(3,4-dichlorophenyl)sulfanyl]methyl}benzoyl)-8-azabicyclo[3.2.1]octan-3-yl]oxy}benzonitrile

V008-4514 Screening compound: 3-{[8-(4-{[(3,4-dichlorophenyl)sulfanyl]methyl}benzoyl)-8-azabicyclo[3.2.1]octan-3-yl]oxy}benzonitrile
V008-4514 Screening compound: 3-{[8-(4-{[(3,4-dichlorophenyl)sulfanyl]methyl}benzoyl)-8-azabicyclo[3.2.1]octan-3-yl]oxy}benzonitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound V008-4514
3-{[8-(4-{[(3,4-dichlorophenyl)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

V008-4514

Molecular Formula

C28H24Cl2N2O2S (C28 H24 Cl2 N2 O2 S)

Compound Name

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

IUPAC name

3-{[8-(4-{[(34-dichlorophenyl)sulfanyl]methyl}benzoyl)-8-azabicyclo[3.2.1]octan-3-yl]oxy}benzonitrile

SMILES

N#Cc1cccc(OC(CC2CC3)CC3N2C(c2ccc(CSc(cc3)cc(Cl)c3Cl)cc2)=O)c1

InChI

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

InChI Key

AIIVVNNWQAACBS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19945638

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

4.673

Distribution Coefficient, logD

4.673

Water Solubility, LogSw

-4.98

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 V008-4514 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V008-4514?
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What is the minimum amount of V008-4514 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V008-4514
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V008-4514
  • 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 V008-4514 available by request