SA43-0879 Screening compound: 2-(3-fluoro-4-methylbenzoyl)-6-methyl-7-[3-(pyridin-4-yl)-1,2,4-oxadiazol-5-yl]-2,6-diazaspiro[3.4]octane

SA43-0879 Screening compound: 2-(3-fluoro-4-methylbenzoyl)-6-methyl-7-[3-(pyridin-4-yl)-1,2,4-oxadiazol-5-yl]-2,6-diazaspiro[3.4]octane
SA43-0879 Screening compound: 2-(3-fluoro-4-methylbenzoyl)-6-methyl-7-[3-(pyridin-4-yl)-1,2,4-oxadiazol-5-yl]-2,6-diazaspiro[3.4]octane alternative view

Chemical Structure Depiction of ChemDiv screening compound SA43-0879
2-(3-fluoro-4-methylbenzoyl)-6-methyl-7-[3-(pyridin-4-yl)-1,2,4-oxadiazol-5-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

SA43-0879

Molecular Formula

C22H22FN5O2 (C22 H22 FN5 O2)

Compound Name

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

IUPAC name

2-(3-fluoro-4-methylbenzoyl)-6-methyl-7-[3-(pyridin-4-yl)-124-oxadiazol-5-yl]-26-diazaspiro[3.4]octane

SMILES

Cc(ccc(C(N(C1)CC1(C1)CN(C)C1c1nc(-c2ccncc2)no1)=O)c1)c1F

InChI

InChI=1S/C22H22FN5O2/c1-14-3-4-16(9-17(14)23)21(29)28-12-22(13-28)10-18(27(2)11-22)20-25-19(26-30-20)15-5-7-24-8-6-15/h3-9,18H,10-13H2,1-2H3/t18-/m1/s1

InChI Key

OUODMMDZRYQPLK-GOSISDBHSA-N

MDL Number (MFCD)

MFCD32236729

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

407.45

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.809

Distribution Coefficient, logD

2.149

Water Solubility, LogSw

-2.83

Polar Surface Area

61.525

Acid Dissociation Constant (pKa)

28.21

Base Dissociation Constant (pKb)

7.95

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

36.36

SA43-0879 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

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

Protein Kinases Inhibitors Library (36801 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
Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Nervous system
  • Hemic and lymphatic
  • Cardiovascular
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with SA43-0879 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SA43-0879?
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What is the minimum amount of SA43-0879 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SA43-0879
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SA43-0879
  • 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 SA43-0879 available by request