SA42-0999 Screening compound: 2-(2,4-dimethyl-1,3-thiazole-5-carbonyl)-6-methyl-7-[5-(pyridin-2-yl)-1,2,4-oxadiazol-3-yl]-2,6-diazaspiro[3.4]octane

SA42-0999 Screening compound: 2-(2,4-dimethyl-1,3-thiazole-5-carbonyl)-6-methyl-7-[5-(pyridin-2-yl)-1,2,4-oxadiazol-3-yl]-2,6-diazaspiro[3.4]octane
SA42-0999 Screening compound: 2-(2,4-dimethyl-1,3-thiazole-5-carbonyl)-6-methyl-7-[5-(pyridin-2-yl)-1,2,4-oxadiazol-3-yl]-2,6-diazaspiro[3.4]octane alternative view

Chemical Structure Depiction of ChemDiv screening compound SA42-0999
2-(2,4-dimethyl-1,3-thiazole-5-carbonyl)-6-methyl-7-[5-(pyridin-2-yl)-1,2,4-oxadiazol-3-yl]-2,6-diazaspiro[3.4]octane

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

SA42-0999

Molecular Formula

C20H22N6O2S (C20 H22 N6 O2 S)

Compound Name

2-(2,4-dimethyl-1,3-thiazole-5-carbonyl)-6-methyl-7-[5-(pyridin-2-yl)-1,2,4-oxadiazol-3-yl]-2,6-diazaspiro[3.4]octane

IUPAC name

2-(24-dimethyl-13-thiazole-5-carbonyl)-6-methyl-7-[5-(pyridin-2-yl)-124-oxadiazol-3-yl]-26-diazaspiro[3.4]octane

SMILES

Cc1c(C(N(C2)CC2(C2)CN(C)C2c2noc(-c3ncccc3)n2)=O)sc(C)n1

InChI

InChI=1S/C20H22N6O2S/c1-12-16(29-13(2)22-12)19(27)26-10-20(11-26)8-15(25(3)9-20)17-23-18(28-24-17)14-6-4-5-7-21-14/h4-7,15H,8-11H2,1-3H3/t15-/m1/s1

InChI Key

DTLQMDDTWYNGFZ-OAHLLOKOSA-N

MDL Number (MFCD)

MFCD32237003

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

410.5

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

1.892

Distribution Coefficient, logD

1.891

Water Solubility, LogSw

-2.34

Polar Surface Area

71.534

Acid Dissociation Constant (pKa)

30.32

Base Dissociation Constant (pKb)

4.72

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

45.00

SA42-0999 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 SA42-0999 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SA42-0999?
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What is the minimum amount of SA42-0999 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SA42-0999
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SA42-0999
  • 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 SA42-0999 available by request