SA44-0807 Screening compound: 6-methyl-7-(5-phenyl-1,3,4-oxadiazol-2-yl)-2-(1,3,5-trimethyl-1H-pyrazole-4-carbonyl)-2,6-diazaspiro[3.4]octane

SA44-0807 Screening compound: 6-methyl-7-(5-phenyl-1,3,4-oxadiazol-2-yl)-2-(1,3,5-trimethyl-1H-pyrazole-4-carbonyl)-2,6-diazaspiro[3.4]octane
SA44-0807 Screening compound: 6-methyl-7-(5-phenyl-1,3,4-oxadiazol-2-yl)-2-(1,3,5-trimethyl-1H-pyrazole-4-carbonyl)-2,6-diazaspiro[3.4]octane alternative view

Chemical Structure Depiction of ChemDiv screening compound SA44-0807
6-methyl-7-(5-phenyl-1,3,4-oxadiazol-2-yl)-2-(1,3,5-trimethyl-1H-pyrazole-4-carbonyl)-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

SA44-0807

Molecular Formula

C22H26N6O2 (C22 H26 N6 O2)

Compound Name

6-methyl-7-(5-phenyl-1,3,4-oxadiazol-2-yl)-2-(1,3,5-trimethyl-1H-pyrazole-4-carbonyl)-2,6-diazaspiro[3.4]octane

IUPAC name

6-methyl-7-(5-phenyl-134-oxadiazol-2-yl)-2-(135-trimethyl-1H-pyrazole-4-carbonyl)-26-diazaspiro[3.4]octane

SMILES

Cc1c(C(N(C2)CC2(C2)CN(C)C2c2nnc(-c3ccccc3)o2)=O)c(C)nn1C

InChI

InChI=1S/C22H26N6O2/c1-14-18(15(2)27(4)25-14)21(29)28-12-22(13-28)10-17(26(3)11-22)20-24-23-19(30-20)16-8-6-5-7-9-16/h5-9,17H,10-13H2,1-4H3/t17-/m1/s1

InChI Key

OEMJHNQWVQVUIH-QGZVFWFLSA-N

MDL Number (MFCD)

MFCD32236271

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

406.49

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

0.987

Distribution Coefficient, logD

0.870

Water Solubility, LogSw

-1.74

Polar Surface Area

65.775

Acid Dissociation Constant (pKa)

27.02

Base Dissociation Constant (pKb)

6.89

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

45.46

SA44-0807 in Drug Discovery

Included in Screening Libraries

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 SA44-0807 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SA44-0807?
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What is the minimum amount of SA44-0807 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SA44-0807
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SA44-0807
  • 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 SA44-0807 available by request