S614-1058 Screening compound: 2-(3-{2-[(oxan-4-yl)methoxy]ethyl}-1,2,4-oxadiazol-5-yl)-1-(1H-pyrazole-3-carbonyl)piperidine

S614-1058 Screening compound: 2-(3-{2-[(oxan-4-yl)methoxy]ethyl}-1,2,4-oxadiazol-5-yl)-1-(1H-pyrazole-3-carbonyl)piperidine
S614-1058 Screening compound: 2-(3-{2-[(oxan-4-yl)methoxy]ethyl}-1,2,4-oxadiazol-5-yl)-1-(1H-pyrazole-3-carbonyl)piperidine alternative view

Chemical Structure Depiction of ChemDiv screening compound S614-1058
2-(3-{2-[(oxan-4-yl)methoxy]ethyl}-1,2,4-oxadiazol-5-yl)-1-(1H-pyrazole-3-carbonyl)piperidine

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

S614-1058

Molecular Formula

C19H27N5O4 (C19 H27 N5 O4)

Compound Name

2-(3-{2-[(oxan-4-yl)methoxy]ethyl}-1,2,4-oxadiazol-5-yl)-1-(1H-pyrazole-3-carbonyl)piperidine

IUPAC name

2-(3-{2-[(oxan-4-yl)methoxy]ethyl}-124-oxadiazol-5-yl)-1-(1H-pyrazole-3-carbonyl)piperidine

SMILES

O=C(c1n[nH]cc1)N(CCCC1)C1c1nc(CCOCC2CCOCC2)no1

InChI

InChI=1S/C19H27N5O4/c25-19(15-4-8-20-22-15)24-9-2-1-3-16(24)18-21-17(23-28-18)7-12-27-13-14-5-10-26-11-6-14/h4,8,14,16H,1-3,5-7,9-13H2,(H,20,22)/t16-/m0/s1

InChI Key

DPGMWZDMQJOZBV-INIZCTEOSA-N

MDL Number (MFCD)

MFCD31975374

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

389.45

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

1.787

Distribution Coefficient, logD

1.787

Water Solubility, LogSw

-2.11

Polar Surface Area

89.032

Acid Dissociation Constant (pKa)

12.30

Base Dissociation Constant (pKb)

-1.59

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

68.42

S614-1058 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 S614-1058 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S614-1058?
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What is the minimum amount of S614-1058 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S614-1058
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S614-1058
  • 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 S614-1058 available by request