T955-0512 Screening compound: 2-[(3-{3-[2-(3-methylphenoxy)ethyl]-1,2,4-oxadiazol-5-yl}piperidino)methyl]benzonitrile

T955-0512 Screening compound: 2-[(3-{3-[2-(3-methylphenoxy)ethyl]-1,2,4-oxadiazol-5-yl}piperidino)methyl]benzonitrile
T955-0512 Screening compound: 2-[(3-{3-[2-(3-methylphenoxy)ethyl]-1,2,4-oxadiazol-5-yl}piperidino)methyl]benzonitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound T955-0512
2-[(3-{3-[2-(3-methylphenoxy)ethyl]-1,2,4-oxadiazol-5-yl}piperidino)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

T955-0512

Molecular Formula

C24H26N4O2 (C24 H26 N4 O2)

Compound Name

2-[(3-{3-[2-(3-methylphenoxy)ethyl]-1,2,4-oxadiazol-5-yl}piperidino)methyl]benzonitrile

IUPAC name

2-[(3-{3-[2-(3-methylphenoxy)ethyl]-124-oxadiazol-5-yl}piperidin-1-yl)methyl]benzonitrile

SMILES

Cc1cccc(OCCc2noc(C3CN(Cc(cccc4)c4C#N)CCC3)n2)c1

InChI

InChI=1S/C24H26N4O2/c1-18-6-4-10-22(14-18)29-13-11-23-26-24(30-27-23)21-9-5-12-28(17-21)16-20-8-3-2-7-19(20)15-25/h2-4,6-8,10,14,21H,5,9,11-13,16-17H2,1H3/t21-/m0/s1

InChI Key

GADAGDWIIYPKPA-NRFANRHFSA-N

MDL Number (MFCD)

MFCD29016565

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

402.5

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.720

Distribution Coefficient, logD

4.121

Water Solubility, LogSw

-4.48

Polar Surface Area

60.775

Acid Dissociation Constant (pKa)

25.77

Base Dissociation Constant (pKb)

7.87

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

37.50

T955-0512 in Drug Discovery

Included in Screening Libraries

Antifungal Library (16415 compounds)

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

Neurotransmitter Transporter Inhibitors Library (11024 compounds)

PPI Helix Turn 3D-Mimetics Library (71298 compounds)

Protein-Protein Interaction Library (218420 compounds)

Alpha-Helix Mimetics Library (25899 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Nervous system
Agro:
  • Agro
Targets:
  • GPCR
  • Ion Channels
Mechanism of action:
  • PPI modulators
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics
  • Mimetics
  • Cyclic compounds

References: we are preparing a list of scientific research reports with T955-0512 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound T955-0512?
Check Price and Availability of T955-0512, 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 T955-0512 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for T955-0512
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for T955-0512
  • 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 T955-0512 available by request