SA72-0668 Screening compound: 1-(cyclopent-3-ene-1-carbonyl)-4-(2-methoxyethyl)-4-(5-methyl-1,2,4-oxadiazol-3-yl)piperidine

SA72-0668 Screening compound: 1-(cyclopent-3-ene-1-carbonyl)-4-(2-methoxyethyl)-4-(5-methyl-1,2,4-oxadiazol-3-yl)piperidine
SA72-0668 Screening compound: 1-(cyclopent-3-ene-1-carbonyl)-4-(2-methoxyethyl)-4-(5-methyl-1,2,4-oxadiazol-3-yl)piperidine alternative view

Chemical Structure Depiction of ChemDiv screening compound SA72-0668
1-(cyclopent-3-ene-1-carbonyl)-4-(2-methoxyethyl)-4-(5-methyl-1,2,4-oxadiazol-3-yl)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

SA72-0668

Molecular Formula

C17H25N3O3 (C17 H25 N3 O3)

Compound Name

1-(cyclopent-3-ene-1-carbonyl)-4-(2-methoxyethyl)-4-(5-methyl-1,2,4-oxadiazol-3-yl)piperidine

IUPAC name

1-(cyclopent-3-ene-1-carbonyl)-4-(2-methoxyethyl)-4-(5-methyl-124-oxadiazol-3-yl)piperidine

SMILES

Cc1nc(C(CCOC)(CC2)CCN2C(C2CC=CC2)=O)no1

InChI

InChI=1S/C17H25N3O3/c1-13-18-16(19-23-13)17(9-12-22-2)7-10-20(11-8-17)15(21)14-5-3-4-6-14/h3-4,14H,5-12H2,1-2H3

InChI Key

DPUFHOJRJKJQRH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD32240127

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

319.4

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

1.915

Distribution Coefficient, logD

1.915

Water Solubility, LogSw

-1.87

Polar Surface Area

56.693

Acid Dissociation Constant (pKa)

22.76

Base Dissociation Constant (pKb)

-2.09

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

70.59

SA72-0668 in Drug Discovery

Included in Screening Libraries

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

CNS MPO Library (28609 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system

References: we are preparing a list of scientific research reports with SA72-0668 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SA72-0668?
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What is the minimum amount of SA72-0668 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SA72-0668
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SA72-0668
  • 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 SA72-0668 available by request