M136-0698 Screening compound: 1-{3-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]pyridin-2-yl}-N-[2-(thiophen-2-yl)ethyl]piperidine-4-carboxamide

M136-0698 Screening compound: 1-{3-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]pyridin-2-yl}-N-[2-(thiophen-2-yl)ethyl]piperidine-4-carboxamide
M136-0698 Screening compound: 1-{3-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]pyridin-2-yl}-N-[2-(thiophen-2-yl)ethyl]piperidine-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound M136-0698
1-{3-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]pyridin-2-yl}-N-[2-(thiophen-2-yl)ethyl]piperidine-4-carboxamide

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

M136-0698

Molecular Formula

C26H27N5O2S (C26 H27 N5 O2 S)

Compound Name

1-{3-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]pyridin-2-yl}-N-[2-(thiophen-2-yl)ethyl]piperidine-4-carboxamide

IUPAC name

1-{3-[3-(3-methylphenyl)-124-oxadiazol-5-yl]pyridin-2-yl}-N-[2-(thiophen-2-yl)ethyl]piperidine-4-carboxamide

SMILES

Cc1cccc(-c2noc(-c3cccnc3N(CC3)CCC3C(NCCc3cccs3)=O)n2)c1

InChI

InChI=1S/C26H27N5O2S/c1-18-5-2-6-20(17-18)23-29-26(33-30-23)22-8-3-12-27-24(22)31-14-10-19(11-15-31)25(32)28-13-9-21-7-4-16-34-21/h2-8,12,16-17,19H,9-11,13-15H2,1H3,(H,28,32)

InChI Key

XDZWEHATKBWUSH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27532182

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

473.6

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.995

Distribution Coefficient, logD

4.985

Water Solubility, LogSw

-4.53

Polar Surface Area

69.351

Acid Dissociation Constant (pKa)

14.07

Base Dissociation Constant (pKb)

5.77

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

30.80

M136-0698 in Drug Discovery

Included in Screening Libraries

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

CNS Targets (44014 compounds)

Hsp90-Targeted Library (11355 compounds)

Macl-GPIb alpha Interaction Library (22969 compounds)

Nonpeptide Peptidomimetics PPI Library (18997 compounds)

Protein-Protein Interaction Library (218420 compounds)

Adenosine Receptors Targeted Library (19896 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Cancer
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Immune system
  • Hemic and lymphatic
  • Cardiovascular
  • Cancer
  • Digestive system
  • Respiratory tract
  • Nervous system
  • Eye
  • Cardiovascular
Mechanism of action:
  • PPI modulators
  • PPI modulators
  • Receptor's ligands
Structure:
  • Mimetics
Targets:
  • GPCR

References: we are preparing a list of scientific research reports with M136-0698 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound M136-0698?
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What is the minimum amount of M136-0698 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for M136-0698
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for M136-0698
  • 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 M136-0698 available by request