S291-0119 Screening compound: 1-[(5-cyclohexyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidin-2-one

S291-0119 Screening compound: 1-[(5-cyclohexyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidin-2-one
S291-0119 Screening compound: 1-[(5-cyclohexyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidin-2-one alternative view

Chemical Structure Depiction of ChemDiv screening compound S291-0119
1-[(5-cyclohexyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidin-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

S291-0119

Molecular Formula

C13H19N3O2 (C13 H19 N3 O2)

Compound Name

1-[(5-cyclohexyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidin-2-one

IUPAC name

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

SMILES

O=C1N(Cc2noc(C3CCCCC3)n2)CCC1

InChI

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

InChI Key

ITBJWRQQZWMLBB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD22387607

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

1.817

Distribution Coefficient, logD

1.817

Water Solubility, LogSw

-1.89

Polar Surface Area

50.361

Acid Dissociation Constant (pKa)

16.30

Base Dissociation Constant (pKb)

-2.87

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

76.90

S291-0119 in Drug Discovery

Included in Screening Libraries

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

Soluble Diversity Library (15920 compounds)

Akt-Targeted Library (14764 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with S291-0119 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S291-0119?
Check Price and Availability of S291-0119, 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 S291-0119 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S291-0119
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S291-0119
  • 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 S291-0119 available by request