V008-4560 Screening compound: 3-{[8-(4-{[(2-ethylphenyl)sulfanyl]methyl}benzoyl)-8-azabicyclo[3.2.1]octan-3-yl]oxy}benzonitrile

V008-4560 Screening compound: 3-{[8-(4-{[(2-ethylphenyl)sulfanyl]methyl}benzoyl)-8-azabicyclo[3.2.1]octan-3-yl]oxy}benzonitrile
V008-4560 Screening compound: 3-{[8-(4-{[(2-ethylphenyl)sulfanyl]methyl}benzoyl)-8-azabicyclo[3.2.1]octan-3-yl]oxy}benzonitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound V008-4560
3-{[8-(4-{[(2-ethylphenyl)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

V008-4560

Molecular Formula

C30H30N2O2S (C30 H30 N2 O2 S)

Compound Name

3-{[8-(4-{[(2-ethylphenyl)sulfanyl]methyl}benzoyl)-8-azabicyclo[3.2.1]octan-3-yl]oxy}benzonitrile

IUPAC name

3-{[8-(4-{[(2-ethylphenyl)sulfanyl]methyl}benzoyl)-8-azabicyclo[3.2.1]octan-3-yl]oxy}benzonitrile

SMILES

CCc(cccc1)c1SCc(cc1)ccc1C(N(C(CC1)C2)C1CC2Oc1cc(C#N)ccc1)=O

InChI

InChI=1S/C30H30N2O2S/c1-2-23-7-3-4-9-29(23)35-20-21-10-12-24(13-11-21)30(33)32-25-14-15-26(32)18-28(17-25)34-27-8-5-6-22(16-27)19-31/h3-13,16,25-26,28H,2,14-15,17-18,20H2,1H3

InChI Key

XQONMFGWBDIAJX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19945498

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

482.65

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

4.200

Distribution Coefficient, logD

4.200

Water Solubility, LogSw

-4.17

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

33.30

References: we are preparing a list of scientific research reports with V008-4560 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V008-4560?
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What is the minimum amount of V008-4560 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V008-4560
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V008-4560
  • 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 V008-4560 available by request