S230-1163 Screening compound: 3-cyclopropaneamido-4-(3-methyl-1,2,4-oxadiazol-5-yl)-N-(2-phenylethyl)piperidine-1-carboxamide

S230-1163 Screening compound: 3-cyclopropaneamido-4-(3-methyl-1,2,4-oxadiazol-5-yl)-N-(2-phenylethyl)piperidine-1-carboxamide
S230-1163 Screening compound: 3-cyclopropaneamido-4-(3-methyl-1,2,4-oxadiazol-5-yl)-N-(2-phenylethyl)piperidine-1-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound S230-1163
3-cyclopropaneamido-4-(3-methyl-1,2,4-oxadiazol-5-yl)-N-(2-phenylethyl)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

S230-1163

Molecular Formula

C21H27N5O3 (C21 H27 N5 O3)

Compound Name

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

IUPAC name

(3S4S)-3-cyclopropaneamido-4-(3-methyl-124-oxadiazol-5-yl)-N-(2-phenylethyl)piperidine-1-carboxamide

SMILES

Cc1noc([C@H](CCN(C2)C(NCCc3ccccc3)=O)[C@H]2NC(C2CC2)=O)n1

InChI

InChI=1S/C21H27N5O3/c1-14-23-20(29-25-14)17-10-12-26(13-18(17)24-19(27)16-7-8-16)21(28)22-11-9-15-5-3-2-4-6-15/h2-6,16-18H,7-13H2,1H3,(H,22,28)(H,24,27)/t17-,18-/m0/s1

InChI Key

FRTAQBNCQJBFHZ-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

9.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.056

Distribution Coefficient, logD

2.056

Water Solubility, LogSw

-2.83

Polar Surface Area

82.955

Acid Dissociation Constant (pKa)

15.01

Base Dissociation Constant (pKb)

3.05

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

52.38

S230-1163 in Drug Discovery

Included in Screening Libraries

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

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 S230-1163 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S230-1163?
Check Price and Availability of S230-1163, 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 S230-1163 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S230-1163
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S230-1163
  • 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 S230-1163 available by request