SA72-0987 Screening compound: 1-cyclohexanecarbonyl-4-(2-methoxyethyl)-4-[5-(oxan-4-yl)-1,2,4-oxadiazol-3-yl]piperidine

SA72-0987 Screening compound: 1-cyclohexanecarbonyl-4-(2-methoxyethyl)-4-[5-(oxan-4-yl)-1,2,4-oxadiazol-3-yl]piperidine
SA72-0987 Screening compound: 1-cyclohexanecarbonyl-4-(2-methoxyethyl)-4-[5-(oxan-4-yl)-1,2,4-oxadiazol-3-yl]piperidine alternative view

Chemical Structure Depiction of ChemDiv screening compound SA72-0987
1-cyclohexanecarbonyl-4-(2-methoxyethyl)-4-[5-(oxan-4-yl)-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

SA72-0987

Molecular Formula

C22H35N3O4 (C22 H35 N3 O4)

Compound Name

1-cyclohexanecarbonyl-4-(2-methoxyethyl)-4-[5-(oxan-4-yl)-1,2,4-oxadiazol-3-yl]piperidine

IUPAC name

1-cyclohexanecarbonyl-4-(2-methoxyethyl)-4-[5-(oxan-4-yl)-124-oxadiazol-3-yl]piperidine

SMILES

COCCC(CC1)(CCN1C(C1CCCCC1)=O)c1noc(C2CCOCC2)n1

InChI

InChI=1S/C22H35N3O4/c1-27-16-11-22(21-23-19(29-24-21)17-7-14-28-15-8-17)9-12-25(13-10-22)20(26)18-5-3-2-4-6-18/h17-18H,2-16H2,1H3

InChI Key

MPPGMFYRYMIDBX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD32240996

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

405.54

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.606

Distribution Coefficient, logD

3.606

Water Solubility, LogSw

-3.52

Polar Surface Area

64.928

Acid Dissociation Constant (pKa)

23.34

Base Dissociation Constant (pKb)

-0.54

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

86.36

SA72-0987 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

CNS MPO Library (28609 compounds)

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

Protein-Protein Interaction Library (218420 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with SA72-0987 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SA72-0987?
Check Price and Availability of SA72-0987, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of SA72-0987 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SA72-0987
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SA72-0987
  • 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 SA72-0987 available by request