M136-0546 Screening compound: N-[(3-methoxyphenyl)methyl]-1-{3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]pyridin-2-yl}piperidine-4-carboxamide

M136-0546 Screening compound: N-[(3-methoxyphenyl)methyl]-1-{3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]pyridin-2-yl}piperidine-4-carboxamide
M136-0546 Screening compound: N-[(3-methoxyphenyl)methyl]-1-{3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]pyridin-2-yl}piperidine-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound M136-0546
N-[(3-methoxyphenyl)methyl]-1-{3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]pyridin-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

M136-0546

Molecular Formula

C28H29N5O3 (C28 H29 N5 O3)

Compound Name

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

IUPAC name

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

SMILES

Cc(cc1)ccc1-c1noc(-c2cccnc2N(CC2)CCC2C(NCc2cc(OC)ccc2)=O)n1

InChI

InChI=1S/C28H29N5O3/c1-19-8-10-21(11-9-19)25-31-28(36-32-25)24-7-4-14-29-26(24)33-15-12-22(13-16-33)27(34)30-18-20-5-3-6-23(17-20)35-2/h3-11,14,17,22H,12-13,15-16,18H2,1-2H3,(H,30,34)

InChI Key

XLCACGIFKJMAKN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD20739004

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

483.57

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

5.014

Distribution Coefficient, logD

5.004

Water Solubility, LogSw

-4.54

Polar Surface Area

76.035

Acid Dissociation Constant (pKa)

13.07

Base Dissociation Constant (pKb)

5.77

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

28.60

M136-0546 in Drug Discovery

Included in Screening Libraries

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)

Regenerative Medicine Focused Library (23016 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
  • Musculoskeletal
  • Digestive system
  • Hemic and lymphatic
  • Cardiovascular
  • Skin
  • wounds
Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with M136-0546 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound M136-0546?
Check Price and Availability of M136-0546, 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 M136-0546 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for M136-0546
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for M136-0546
  • 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 M136-0546 available by request