M136-0745 Screening compound: N-[2-(cyclohex-1-en-1-yl)ethyl]-1-{3-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]pyridin-2-yl}piperidine-4-carboxamide

M136-0745 Screening compound: N-[2-(cyclohex-1-en-1-yl)ethyl]-1-{3-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]pyridin-2-yl}piperidine-4-carboxamide
M136-0745 Screening compound: N-[2-(cyclohex-1-en-1-yl)ethyl]-1-{3-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]pyridin-2-yl}piperidine-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound M136-0745
N-[2-(cyclohex-1-en-1-yl)ethyl]-1-{3-[3-(3-fluorophenyl)-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

M136-0745

Molecular Formula

C27H30FN5O2 (C27 H30 FN5 O2)

Compound Name

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

IUPAC name

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

SMILES

O=C(C(CC1)CCN1c(nccc1)c1-c1nc(-c2cccc(F)c2)no1)NCCC1=CCCCC1

InChI

InChI=1S/C27H30FN5O2/c28-22-9-4-8-21(18-22)24-31-27(35-32-24)23-10-5-14-29-25(23)33-16-12-20(13-17-33)26(34)30-15-11-19-6-2-1-3-7-19/h4-6,8-10,14,18,20H,1-3,7,11-13,15-17H2,(H,30,34)

InChI Key

YZPGCLZXIFFXKL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27532204

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

475.57

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

5.158

Distribution Coefficient, logD

5.148

Water Solubility, LogSw

-5.16

Polar Surface Area

68.524

Acid Dissociation Constant (pKa)

14.61

Base Dissociation Constant (pKb)

5.77

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

40.70

M136-0745 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)

Adenosine Receptors Targeted Library (19896 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
  • 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 M136-0745 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound M136-0745?
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What is the minimum amount of M136-0745 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for M136-0745
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for M136-0745
  • 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 M136-0745 available by request