S655-0339 Screening compound: 8-(1,3-dimethyl-1H-pyrazole-5-carbonyl)-3-[5-(methoxymethyl)-1,3,4-oxadiazol-2-yl]-2-methyl-2,8-diazaspiro[4.5]decane

S655-0339 Screening compound: 8-(1,3-dimethyl-1H-pyrazole-5-carbonyl)-3-[5-(methoxymethyl)-1,3,4-oxadiazol-2-yl]-2-methyl-2,8-diazaspiro[4.5]decane
S655-0339 Screening compound: 8-(1,3-dimethyl-1H-pyrazole-5-carbonyl)-3-[5-(methoxymethyl)-1,3,4-oxadiazol-2-yl]-2-methyl-2,8-diazaspiro[4.5]decane alternative view

Chemical Structure Depiction of ChemDiv screening compound S655-0339
8-(1,3-dimethyl-1H-pyrazole-5-carbonyl)-3-[5-(methoxymethyl)-1,3,4-oxadiazol-2-yl]-2-methyl-2,8-diazaspiro[4.5]decane

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

S655-0339

Molecular Formula

C19H28N6O3 (C19 H28 N6 O3)

Compound Name

8-(1,3-dimethyl-1H-pyrazole-5-carbonyl)-3-[5-(methoxymethyl)-1,3,4-oxadiazol-2-yl]-2-methyl-2,8-diazaspiro[4.5]decane

IUPAC name

8-(13-dimethyl-1H-pyrazole-5-carbonyl)-3-[5-(methoxymethyl)-134-oxadiazol-2-yl]-2-methyl-28-diazaspiro[4.5]decane

SMILES

Cc1nn(C)c(C(N2CCC(C3)(CN(C)C3c3nnc(COC)o3)CC2)=O)c1

InChI

InChI=1S/C19H28N6O3/c1-13-9-14(24(3)22-13)18(26)25-7-5-19(6-8-25)10-15(23(2)12-19)17-21-20-16(28-17)11-27-4/h9,15H,5-8,10-12H2,1-4H3/t15-/m1/s1

InChI Key

HMEGXXAPGDTMDG-OAHLLOKOSA-N

MDL Number (MFCD)

MFCD31975274

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

5.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

-0.512

Distribution Coefficient, logD

-0.760

Water Solubility, LogSw

-0.53

Polar Surface Area

72.421

Acid Dissociation Constant (pKa)

28.05

Base Dissociation Constant (pKb)

7.29

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

68.42

S655-0339 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)

Spiro Library (21655 compounds)

Alpha-Helix Mimetics Library (25899 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Peptidomimetic Library (37031 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with S655-0339 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S655-0339?
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What is the minimum amount of S655-0339 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S655-0339
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S655-0339
  • 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 S655-0339 available by request