SA42-0995 Screening compound: 3-cyclopentyl-1-{6-methyl-7-[5-(pyridin-2-yl)-1,2,4-oxadiazol-3-yl]-2,6-diazaspiro[3.4]octan-2-yl}propan-1-one

SA42-0995 Screening compound: 3-cyclopentyl-1-{6-methyl-7-[5-(pyridin-2-yl)-1,2,4-oxadiazol-3-yl]-2,6-diazaspiro[3.4]octan-2-yl}propan-1-one
SA42-0995 Screening compound: 3-cyclopentyl-1-{6-methyl-7-[5-(pyridin-2-yl)-1,2,4-oxadiazol-3-yl]-2,6-diazaspiro[3.4]octan-2-yl}propan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound SA42-0995
3-cyclopentyl-1-{6-methyl-7-[5-(pyridin-2-yl)-1,2,4-oxadiazol-3-yl]-2,6-diazaspiro[3.4]octan-2-yl}propan-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

SA42-0995

Molecular Formula

C22H29N5O2 (C22 H29 N5 O2)

Compound Name

3-cyclopentyl-1-{6-methyl-7-[5-(pyridin-2-yl)-1,2,4-oxadiazol-3-yl]-2,6-diazaspiro[3.4]octan-2-yl}propan-1-one

IUPAC name

3-cyclopentyl-1-{6-methyl-7-[5-(pyridin-2-yl)-124-oxadiazol-3-yl]-26-diazaspiro[3.4]octan-2-yl}propan-1-one

SMILES

CN(CC(C1)(CN1C(CCC1CCCC1)=O)C1)C1c1noc(-c2ncccc2)n1

InChI

InChI=1S/C22H29N5O2/c1-26-13-22(14-27(15-22)19(28)10-9-16-6-2-3-7-16)12-18(26)20-24-21(29-25-20)17-8-4-5-11-23-17/h4-5,8,11,16,18H,2-3,6-7,9-10,12-15H2,1H3/t18-/m1/s1

InChI Key

SQNHQQGRSKVINO-GOSISDBHSA-N

MDL Number (MFCD)

MFCD32236911

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

395.5

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.476

Distribution Coefficient, logD

2.411

Water Solubility, LogSw

-2.48

Polar Surface Area

61.176

Acid Dissociation Constant (pKa)

23.91

Base Dissociation Constant (pKb)

6.61

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

63.64

SA42-0995 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

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

Protein-Protein Interaction Library (218420 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Peptidomimetic Library (37031 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with SA42-0995 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SA42-0995?
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What is the minimum amount of SA42-0995 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SA42-0995
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SA42-0995
  • 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 SA42-0995 available by request