V031-1086 Screening compound: {[5-(1-BENZOTHIOPHEN-2-YL)PYRIDIN-3-YL]METHYL}(BENZYL)METHYLAMINE

V031-1086 Screening compound: {[5-(1-BENZOTHIOPHEN-2-YL)PYRIDIN-3-YL]METHYL}(BENZYL)METHYLAMINE
V031-1086 Screening compound: {[5-(1-BENZOTHIOPHEN-2-YL)PYRIDIN-3-YL]METHYL}(BENZYL)METHYLAMINE alternative view

Chemical Structure Depiction of ChemDiv screening compound V031-1086
{[5-(1-BENZOTHIOPHEN-2-YL)PYRIDIN-3-YL]METHYL}(BENZYL)METHYLAMINE

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

V031-1086

Molecular Formula

C22H20N2S (C22 H20 N2 S)

Compound Name

{[5-(1-BENZOTHIOPHEN-2-YL)PYRIDIN-3-YL]METHYL}(BENZYL)METHYLAMINE

IUPAC name

{[5-(1-benzothiophen-2-yl)pyridin-3-yl]methyl}(benzyl)methylamine

SMILES

CN(Cc1ccccc1)Cc1cc(-c2cc(cccc3)c3s2)cnc1

InChI

InChI=1S/C22H20N2S/c1-24(15-17-7-3-2-4-8-17)16-18-11-20(14-23-13-18)22-12-19-9-5-6-10-21(19)25-22/h2-14H,15-16H2,1H3

InChI Key

SBOWLCKNTOSJHW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19901555

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

344.48

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

2

Partition Coefficient, logP

5.106

Distribution Coefficient, logD

4.981

Water Solubility, LogSw

-5.75

Polar Surface Area

14.165

Acid Dissociation Constant (pKa)

24.73

Base Dissociation Constant (pKb)

6.92

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

13.60

V031-1086 in Drug Discovery

Included in Screening Libraries

Anti-Aging Library (44940 compounds)

Antifungal Library (16415 compounds)

Antiviral Library (67538 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Metabolic
  • Immune system
  • Infections
  • Immune system
  • animal
  • Antiviral
  • Infections
  • Immune system
Mechanism of action:
  • Epigenetic
Agro:
  • Agro

References: we are preparing a list of scientific research reports with V031-1086 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V031-1086?
Check Price and Availability of V031-1086, 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 V031-1086 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V031-1086
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V031-1086
  • 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 V031-1086 available by request