S914-0090 Screening compound: 7-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)propanoyl]-1,7-diazaspiro[4.4]nonan-2-one

S914-0090 Screening compound: 7-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)propanoyl]-1,7-diazaspiro[4.4]nonan-2-one
S914-0090 Screening compound: 7-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)propanoyl]-1,7-diazaspiro[4.4]nonan-2-one alternative view

Chemical Structure Depiction of ChemDiv screening compound S914-0090
7-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)propanoyl]-1,7-diazaspiro[4.4]nonan-2-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

S914-0090

Molecular Formula

C18H20N4O3 (C18 H20 N4 O3)

Compound Name

7-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)propanoyl]-1,7-diazaspiro[4.4]nonan-2-one

IUPAC name

7-[3-(3-phenyl-124-oxadiazol-5-yl)propanoyl]-17-diazaspiro[4.4]nonan-2-one

SMILES

O=C(CCc1nc(-c2ccccc2)no1)N(CC1)CC1(CC1)NC1=O

InChI

InChI=1S/C18H20N4O3/c23-14-8-9-18(20-14)10-11-22(12-18)16(24)7-6-15-19-17(21-25-15)13-4-2-1-3-5-13/h1-5H,6-12H2,(H,20,23)/t18-/m0/s1

InChI Key

PTNULXGYMRSAJS-SFHVURJKSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

340.38

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.669

Distribution Coefficient, logD

1.669

Water Solubility, LogSw

-2.18

Polar Surface Area

73.829

Acid Dissociation Constant (pKa)

12.73

Base Dissociation Constant (pKb)

-3.16

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

44.44

S914-0090 in Drug Discovery

Included in Screening Libraries

3D-Diversity Natural-Product-Like Library (18102 compounds)

3D-Pharmacophore Based Diversity Library (49813 compounds)

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

Protein-Protein Interaction Library (218420 compounds)

Spiro Library (21655 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
  • Cyclic compounds
  • Cyclic compounds
Mechanism of action:
  • PPI modulators
  • PPI modulators

References: we are preparing a list of scientific research reports with S914-0090 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S914-0090?
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What is the minimum amount of S914-0090 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S914-0090
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S914-0090
  • 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 S914-0090 available by request