V007-8417 Screening compound: 4-[(2-{4-[2-(methylsulfanyl)pyridine-3-carbonyl]piperazin-1-yl}-1-[3-(pyrrolidin-1-yl)phenyl]ethoxy)methyl]benzonitrile

V007-8417 Screening compound: 4-[(2-{4-[2-(methylsulfanyl)pyridine-3-carbonyl]piperazin-1-yl}-1-[3-(pyrrolidin-1-yl)phenyl]ethoxy)methyl]benzonitrile
V007-8417 Screening compound: 4-[(2-{4-[2-(methylsulfanyl)pyridine-3-carbonyl]piperazin-1-yl}-1-[3-(pyrrolidin-1-yl)phenyl]ethoxy)methyl]benzonitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound V007-8417
4-[(2-{4-[2-(methylsulfanyl)pyridine-3-carbonyl]piperazin-1-yl}-1-[3-(pyrrolidin-1-yl)phenyl]ethoxy)methyl]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

V007-8417

Molecular Formula

C31H35N5O2S (C31 H35 N5 O2 S)

Compound Name

4-[(2-{4-[2-(methylsulfanyl)pyridine-3-carbonyl]piperazin-1-yl}-1-[3-(pyrrolidin-1-yl)phenyl]ethoxy)methyl]benzonitrile

IUPAC name

4-[(2-{4-[2-(methylsulfanyl)pyridine-3-carbonyl]piperazin-1-yl}-1-[3-(pyrrolidin-1-yl)phenyl]ethoxy)methyl]benzonitrile

SMILES

CSc1ncccc1C(N1CCN(CC(c2cc(N3CCCC3)ccc2)OCc(cc2)ccc2C#N)CC1)=O

InChI

InChI=1S/C31H35N5O2S/c1-39-30-28(8-5-13-33-30)31(37)36-18-16-34(17-19-36)22-29(38-23-25-11-9-24(21-32)10-12-25)26-6-4-7-27(20-26)35-14-2-3-15-35/h4-13,20,29H,2-3,14-19,22-23H2,1H3/t29-/m0/s1

InChI Key

AUUSESBGNIRENU-LJAQVGFWSA-N

MDL Number (MFCD)

MFCD19953363

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

541.72

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.946

Distribution Coefficient, logD

3.944

Water Solubility, LogSw

-3.97

Polar Surface Area

57.362

Acid Dissociation Constant (pKa)

23.56

Base Dissociation Constant (pKb)

5.07

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

38.70

V007-8417 in Drug Discovery

Included in Screening Libraries

GPCR Targeted Library (31838 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with V007-8417 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V007-8417?
Check Price and Availability of V007-8417, 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 V007-8417 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V007-8417
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V007-8417
  • 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 V007-8417 available by request