S230-1162 Screening compound: 3-cyclopropaneamido-4-(3-methyl-1,2,4-oxadiazol-5-yl)-N-[(4-methylphenyl)methyl]piperidine-1-carboxamide

S230-1162 Screening compound: 3-cyclopropaneamido-4-(3-methyl-1,2,4-oxadiazol-5-yl)-N-[(4-methylphenyl)methyl]piperidine-1-carboxamide
S230-1162 Screening compound: 3-cyclopropaneamido-4-(3-methyl-1,2,4-oxadiazol-5-yl)-N-[(4-methylphenyl)methyl]piperidine-1-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound S230-1162
3-cyclopropaneamido-4-(3-methyl-1,2,4-oxadiazol-5-yl)-N-[(4-methylphenyl)methyl]piperidine-1-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

S230-1162

Molecular Formula

C21H27N5O3 (C21 H27 N5 O3)

Compound Name

3-cyclopropaneamido-4-(3-methyl-1,2,4-oxadiazol-5-yl)-N-[(4-methylphenyl)methyl]piperidine-1-carboxamide

IUPAC name

(3S4S)-3-cyclopropaneamido-4-(3-methyl-124-oxadiazol-5-yl)-N-[(4-methylphenyl)methyl]piperidine-1-carboxamide

SMILES

Cc1noc([C@H](CCN(C2)C(NCc3ccc(C)cc3)=O)[C@H]2NC(C2CC2)=O)n1

InChI

InChI=1S/C21H27N5O3/c1-13-3-5-15(6-4-13)11-22-21(28)26-10-9-17(20-23-14(2)25-29-20)18(12-26)24-19(27)16-7-8-16/h3-6,16-18H,7-12H2,1-2H3,(H,22,28)(H,24,27)/t17-,18-/m0/s1

InChI Key

WEDULMLATGMWFB-ROUUACIJSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

397.48

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.063

Distribution Coefficient, logD

2.063

Water Solubility, LogSw

-2.78

Polar Surface Area

83.113

Acid Dissociation Constant (pKa)

14.51

Base Dissociation Constant (pKb)

3.05

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

52.38

S230-1162 in Drug Discovery

Included in Screening Libraries

Antimitotic Tubulin Library (17355 compounds)

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

PPI Inhibitors Tripeptide Mimetics (23972 compounds)

Protein-Protein Interaction Library (218420 compounds)

Alpha-Helix Mimetics Library (25899 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Peptidomimetic Library (37031 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with S230-1162 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S230-1162?
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What is the minimum amount of S230-1162 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S230-1162
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S230-1162
  • 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 S230-1162 available by request