SC03-0461 Screening compound: (5-cyclopropyl-1H-pyrazol-3-yl){4-[2-(5-tetrahydro-2H-pyran-4-yl-1,2,4-oxadiazol-3-yl)ethoxy]piperidino}methanone

SC03-0461 Screening compound: (5-cyclopropyl-1H-pyrazol-3-yl){4-[2-(5-tetrahydro-2H-pyran-4-yl-1,2,4-oxadiazol-3-yl)ethoxy]piperidino}methanone
SC03-0461 Screening compound: (5-cyclopropyl-1H-pyrazol-3-yl){4-[2-(5-tetrahydro-2H-pyran-4-yl-1,2,4-oxadiazol-3-yl)ethoxy]piperidino}methanone alternative view

Chemical Structure Depiction of ChemDiv screening compound SC03-0461
(5-cyclopropyl-1H-pyrazol-3-yl){4-[2-(5-tetrahydro-2H-pyran-4-yl-1,2,4-oxadiazol-3-yl)ethoxy]piperidino}methanone

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

SC03-0461

Molecular Formula

C21H29N5O4 (C21 H29 N5 O4)

Compound Name

(5-cyclopropyl-1H-pyrazol-3-yl){4-[2-(5-tetrahydro-2H-pyran-4-yl-1,2,4-oxadiazol-3-yl)ethoxy]piperidino}methanone

IUPAC name

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

SMILES

O=C(c1n[nH]c(C2CC2)c1)N(CC1)CCC1OCCc1noc(C2CCOCC2)n1

InChI

InChI=1S/C21H29N5O4/c27-21(18-13-17(23-24-18)14-1-2-14)26-8-3-16(4-9-26)29-12-7-19-22-20(30-25-19)15-5-10-28-11-6-15/h13-16H,1-12H2,(H,23,24)

InChI Key

AWPSIBXTQAMSKR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD32251236

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

415.49

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

2.331

Distribution Coefficient, logD

2.331

Water Solubility, LogSw

-2.59

Polar Surface Area

87.328

Acid Dissociation Constant (pKa)

12.76

Base Dissociation Constant (pKb)

-1.29

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

71.43

SC03-0461 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

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

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

Protein-Protein Interaction Library (218420 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with SC03-0461 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SC03-0461?
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What is the minimum amount of SC03-0461 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SC03-0461
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SC03-0461
  • 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 SC03-0461 available by request