V001-9784 Screening compound: 3-({8-[4-({[(2-methylphenyl)methyl]sulfanyl}methyl)benzoyl]-8-azabicyclo[3.2.1]octan-3-yl}oxy)benzonitrile

V001-9784 Screening compound: 3-({8-[4-({[(2-methylphenyl)methyl]sulfanyl}methyl)benzoyl]-8-azabicyclo[3.2.1]octan-3-yl}oxy)benzonitrile
V001-9784 Screening compound: 3-({8-[4-({[(2-methylphenyl)methyl]sulfanyl}methyl)benzoyl]-8-azabicyclo[3.2.1]octan-3-yl}oxy)benzonitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound V001-9784
3-({8-[4-({[(2-methylphenyl)methyl]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

V001-9784

Molecular Formula

C30H30N2O2S (C30 H30 N2 O2 S)

Compound Name

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

IUPAC name

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

SMILES

Cc1c(CSCc(cc2)ccc2C(N(C(CC2)C3)C2CC3Oc2cc(C#N)ccc2)=O)cccc1

InChI

InChI=1S/C30H30N2O2S/c1-21-5-2-3-7-25(21)20-35-19-22-9-11-24(12-10-22)30(33)32-26-13-14-27(32)17-29(16-26)34-28-8-4-6-23(15-28)18-31/h2-12,15,26-27,29H,13-14,16-17,19-20H2,1H3

InChI Key

IYXJMXIHGBZDIA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19967825

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

4.703

Distribution Coefficient, logD

4.703

Water Solubility, LogSw

-4.49

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

V001-9784 in Drug Discovery

Included in Screening Libraries

GPCR Targeted Library (31838 compounds)

Regenerative Medicine Focused Library (23016 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
  • Musculoskeletal
  • Digestive system
  • Hemic and lymphatic
  • Cardiovascular
  • Skin
  • wounds
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with V001-9784 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V001-9784?
Check Price and Availability of V001-9784, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of V001-9784 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V001-9784
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V001-9784
  • 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 V001-9784 available by request