S614-0977 Screening compound: 2-{3-[2-(cyclopentylmethoxy)ethyl]-1,2,4-oxadiazol-5-yl}-N-(2-fluorophenyl)piperidine-1-carboxamide

S614-0977 Screening compound: 2-{3-[2-(cyclopentylmethoxy)ethyl]-1,2,4-oxadiazol-5-yl}-N-(2-fluorophenyl)piperidine-1-carboxamide
S614-0977 Screening compound: 2-{3-[2-(cyclopentylmethoxy)ethyl]-1,2,4-oxadiazol-5-yl}-N-(2-fluorophenyl)piperidine-1-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound S614-0977
2-{3-[2-(cyclopentylmethoxy)ethyl]-1,2,4-oxadiazol-5-yl}-N-(2-fluorophenyl)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

S614-0977

Molecular Formula

C22H29FN4O3 (C22 H29 FN4 O3)

Compound Name

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

IUPAC name

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

SMILES

O=C(Nc(cccc1)c1F)N(CCCC1)C1c1nc(CCOCC2CCCC2)no1

InChI

InChI=1S/C22H29FN4O3/c23-17-9-3-4-10-18(17)24-22(28)27-13-6-5-11-19(27)21-25-20(26-30-21)12-14-29-15-16-7-1-2-8-16/h3-4,9-10,16,19H,1-2,5-8,11-15H2,(H,24,28)/t19-/m0/s1

InChI Key

MHSKNLRDFWVFNX-IBGZPJMESA-N

MDL Number (MFCD)

MFCD31984875

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

416.5

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.478

Distribution Coefficient, logD

4.478

Water Solubility, LogSw

-4.35

Polar Surface Area

66.011

Acid Dissociation Constant (pKa)

12.64

Base Dissociation Constant (pKb)

0.73

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

59.09

S614-0977 in Drug Discovery

Included in Screening Libraries

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

Protein-Protein Interaction Library (218420 compounds)

Alpha-Helix Mimetics Library (25899 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with S614-0977 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S614-0977?
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What is the minimum amount of S614-0977 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S614-0977
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S614-0977
  • 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 S614-0977 available by request