M136-0654 Screening compound: 1-{3-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]pyridin-2-yl}-N-(propan-2-yl)piperidine-4-carboxamide

M136-0654 Screening compound: 1-{3-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]pyridin-2-yl}-N-(propan-2-yl)piperidine-4-carboxamide
M136-0654 Screening compound: 1-{3-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]pyridin-2-yl}-N-(propan-2-yl)piperidine-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound M136-0654
1-{3-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]pyridin-2-yl}-N-(propan-2-yl)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

M136-0654

Molecular Formula

C23H27N5O2 (C23 H27 N5 O2)

Compound Name

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

IUPAC name

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

SMILES

CC(C)NC(C(CC1)CCN1c1ncccc1-c1nc(-c2cc(C)ccc2)no1)=O

InChI

InChI=1S/C23H27N5O2/c1-15(2)25-22(29)17-9-12-28(13-10-17)21-19(8-5-11-24-21)23-26-20(27-30-23)18-7-4-6-16(3)14-18/h4-8,11,14-15,17H,9-10,12-13H2,1-3H3,(H,25,29)

InChI Key

CPLBUEBNLNSPMT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27532170

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

405.5

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.217

Distribution Coefficient, logD

4.207

Water Solubility, LogSw

-4.16

Polar Surface Area

67.737

Acid Dissociation Constant (pKa)

14.90

Base Dissociation Constant (pKb)

5.77

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

39.10

M136-0654 in Drug Discovery

Included in Screening Libraries

Hsp90-Targeted Library (11355 compounds)

Macl-GPIb alpha Interaction Library (22969 compounds)

Nonpeptide Peptidomimetics PPI Library (18997 compounds)

Protein-Protein Interaction Library (218420 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Immune system
  • Hemic and lymphatic
  • Cardiovascular
Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics
  • Cyclic compounds

References: we are preparing a list of scientific research reports with M136-0654 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound M136-0654?
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What is the minimum amount of M136-0654 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for M136-0654
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for M136-0654
  • 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 M136-0654 available by request