S291-0100 Screening compound: 1-[(3-CYCLOHEXYL-1,2,4-OXADIAZOL-5-YL)METHYL]-2-PYRROLIDINONE

S291-0100 Screening compound: 1-[(3-CYCLOHEXYL-1,2,4-OXADIAZOL-5-YL)METHYL]-2-PYRROLIDINONE
S291-0100 Screening compound: 1-[(3-CYCLOHEXYL-1,2,4-OXADIAZOL-5-YL)METHYL]-2-PYRROLIDINONE alternative view

Chemical Structure Depiction of ChemDiv screening compound S291-0100
1-[(3-CYCLOHEXYL-1,2,4-OXADIAZOL-5-YL)METHYL]-2-PYRROLIDINONE

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

S291-0100

Molecular Formula

C13H19N3O2 (C13 H19 N3 O2)

Compound Name

1-[(3-CYCLOHEXYL-1,2,4-OXADIAZOL-5-YL)METHYL]-2-PYRROLIDINONE

IUPAC name

1-[(3-cyclohexyl-124-oxadiazol-5-yl)methyl]pyrrolidin-2-one

SMILES

O=C1N(Cc2nc(C3CCCCC3)no2)CCC1

InChI

InChI=1S/C13H19N3O2/c17-12-7-4-8-16(12)9-11-14-13(15-18-11)10-5-2-1-3-6-10/h10H,1-9H2

InChI Key

KGRNCCPQUNGGOZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD22387638

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

249.31

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

1.794

Distribution Coefficient, logD

1.794

Water Solubility, LogSw

-1.89

Polar Surface Area

49.036

Acid Dissociation Constant (pKa)

16.30

Base Dissociation Constant (pKb)

-2.87

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

76.92

S291-0100 in Drug Discovery

Included in Screening Libraries

3D-Fragment Library (4274 compounds)

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

Protein-Protein Interaction Library (218420 compounds)

Soluble Diversity Library (15920 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with S291-0100 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S291-0100?
Check Price and Availability of S291-0100, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of S291-0100 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S291-0100
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S291-0100
  • 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 S291-0100 available by request