S614-0990 Screening compound: 2-{3-[2-(cyclopentylmethoxy)ethyl]-1,2,4-oxadiazol-5-yl}-N-methylpiperidine-1-carboxamide

S614-0990 Screening compound: 2-{3-[2-(cyclopentylmethoxy)ethyl]-1,2,4-oxadiazol-5-yl}-N-methylpiperidine-1-carboxamide
S614-0990 Screening compound: 2-{3-[2-(cyclopentylmethoxy)ethyl]-1,2,4-oxadiazol-5-yl}-N-methylpiperidine-1-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound S614-0990
2-{3-[2-(cyclopentylmethoxy)ethyl]-1,2,4-oxadiazol-5-yl}-N-methylpiperidine-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

S614-0990

Molecular Formula

C17H28N4O3 (C17 H28 N4 O3)

Compound Name

2-{3-[2-(cyclopentylmethoxy)ethyl]-1,2,4-oxadiazol-5-yl}-N-methylpiperidine-1-carboxamide

IUPAC name

2-{3-[2-(cyclopentylmethoxy)ethyl]-124-oxadiazol-5-yl}-N-methylpiperidine-1-carboxamide

SMILES

CNC(N(CCCC1)C1c1nc(CCOCC2CCCC2)no1)=O

InChI

InChI=1S/C17H28N4O3/c1-18-17(22)21-10-5-4-8-14(21)16-19-15(20-24-16)9-11-23-12-13-6-2-3-7-13/h13-14H,2-12H2,1H3,(H,18,22)/t14-/m0/s1

InChI Key

RXUHBZRNUBCLFI-AWEZNQCLSA-N

MDL Number (MFCD)

MFCD31973722

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

336.43

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

2.780

Distribution Coefficient, logD

2.780

Water Solubility, LogSw

-2.86

Polar Surface Area

68.453

Acid Dissociation Constant (pKa)

17.15

Base Dissociation Constant (pKb)

1.87

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

82.35

S614-0990 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Protein-Protein Interaction Library (218420 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
Structure:
  • Cyclic compounds

References: we are preparing a list of scientific research reports with S614-0990 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S614-0990?
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What is the minimum amount of S614-0990 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S614-0990
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S614-0990
  • 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 S614-0990 available by request