SA72-0245 Screening compound: 1-[4-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-4-(2-methoxyethyl)piperidin-1-yl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)ethan-1-one

SA72-0245 Screening compound: 1-[4-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-4-(2-methoxyethyl)piperidin-1-yl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)ethan-1-one
SA72-0245 Screening compound: 1-[4-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-4-(2-methoxyethyl)piperidin-1-yl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)ethan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound SA72-0245
1-[4-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-4-(2-methoxyethyl)piperidin-1-yl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)ethan-1-one

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

SA72-0245

Molecular Formula

C20H28N4O4 (C20 H28 N4 O4)

Compound Name

1-[4-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-4-(2-methoxyethyl)piperidin-1-yl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)ethan-1-one

IUPAC name

1-[4-(5-cyclopropyl-124-oxadiazol-3-yl)-4-(2-methoxyethyl)piperidin-1-yl]-2-(35-dimethyl-12-oxazol-4-yl)ethan-1-one

SMILES

Cc1noc(C)c1CC(N(CC1)CCC1(CCOC)c1noc(C2CC2)n1)=O

InChI

InChI=1S/C20H28N4O4/c1-13-16(14(2)27-22-13)12-17(25)24-9-6-20(7-10-24,8-11-26-3)19-21-18(28-23-19)15-4-5-15/h15H,4-12H2,1-3H3

InChI Key

MUSSZRLZCPSIGJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD32240342

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

388.47

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.520

Distribution Coefficient, logD

2.520

Water Solubility, LogSw

-2.08

Polar Surface Area

78.669

Acid Dissociation Constant (pKa)

14.17

Base Dissociation Constant (pKb)

0.87

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

70.00

SA72-0245 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 SA72-0245 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SA72-0245?
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What is the minimum amount of SA72-0245 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SA72-0245
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SA72-0245
  • 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 SA72-0245 available by request