SA67-0480 Screening compound: 3-(3-{2-[1-(1-methylcyclohexanecarbonyl)pyrrolidin-3-yl]ethyl}-1,2,4-oxadiazol-5-yl)pyridine

SA67-0480 Screening compound: 3-(3-{2-[1-(1-methylcyclohexanecarbonyl)pyrrolidin-3-yl]ethyl}-1,2,4-oxadiazol-5-yl)pyridine
SA67-0480 Screening compound: 3-(3-{2-[1-(1-methylcyclohexanecarbonyl)pyrrolidin-3-yl]ethyl}-1,2,4-oxadiazol-5-yl)pyridine alternative view

Chemical Structure Depiction of ChemDiv screening compound SA67-0480
3-(3-{2-[1-(1-methylcyclohexanecarbonyl)pyrrolidin-3-yl]ethyl}-1,2,4-oxadiazol-5-yl)pyridine

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

SA67-0480

Molecular Formula

C21H28N4O2 (C21 H28 N4 O2)

Compound Name

3-(3-{2-[1-(1-methylcyclohexanecarbonyl)pyrrolidin-3-yl]ethyl}-1,2,4-oxadiazol-5-yl)pyridine

IUPAC name

3-(3-{2-[1-(1-methylcyclohexanecarbonyl)pyrrolidin-3-yl]ethyl}-124-oxadiazol-5-yl)pyridine

SMILES

CC1(CCCCC1)C(N1CC(CCc2noc(-c3cnccc3)n2)CC1)=O

InChI

InChI=1S/C21H28N4O2/c1-21(10-3-2-4-11-21)20(26)25-13-9-16(15-25)7-8-18-23-19(27-24-18)17-6-5-12-22-14-17/h5-6,12,14,16H,2-4,7-11,13,15H2,1H3/t16-/m1/s1

InChI Key

QCVQVUONRMBFJF-MRXNPFEDSA-N

MDL Number (MFCD)

MFCD32001296

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

368.48

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

3.321

Distribution Coefficient, logD

3.228

Water Solubility, LogSw

-3.17

Polar Surface Area

59.292

Acid Dissociation Constant (pKa)

25.52

Base Dissociation Constant (pKb)

6.78

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

61.90

SA67-0480 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

CNS BBB Library (22607 compounds)

CNS MPO Library (28609 compounds)

CNS Targets (44014 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
  • Nervous system
  • Nervous system
Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with SA67-0480 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SA67-0480?
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What is the minimum amount of SA67-0480 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SA67-0480
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SA67-0480
  • 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 SA67-0480 available by request