S248-2800 Screening compound: 1-{3-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidin-1-yl}-3-methoxypropan-1-one

S248-2800 Screening compound: 1-{3-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidin-1-yl}-3-methoxypropan-1-one
S248-2800 Screening compound: 1-{3-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidin-1-yl}-3-methoxypropan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound S248-2800
1-{3-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidin-1-yl}-3-methoxypropan-1-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

S248-2800

Molecular Formula

C14H21N3O3 (C14 H21 N3 O3)

Compound Name

1-{3-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidin-1-yl}-3-methoxypropan-1-one

IUPAC name

1-{3-[(5-cyclopropyl-124-oxadiazol-3-yl)methyl]pyrrolidin-1-yl}-3-methoxypropan-1-one

SMILES

COCCC(N1CC(Cc2noc(C3CC3)n2)CC1)=O

InChI

InChI=1S/C14H21N3O3/c1-19-7-5-13(18)17-6-4-10(9-17)8-12-15-14(20-16-12)11-2-3-11/h10-11H,2-9H2,1H3/t10-/m0/s1

InChI Key

AVBNJWVMALHQKH-JTQLQIEISA-N

MDL Number (MFCD)

MFCD31988073

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

279.34

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

1.511

Distribution Coefficient, logD

1.511

Water Solubility, LogSw

-1.51

Polar Surface Area

58.192

Acid Dissociation Constant (pKa)

23.81

Base Dissociation Constant (pKb)

0.58

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

78.57

S248-2800 in Drug Discovery

Included in Screening Libraries

CNS MPO Library (28609 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

Therapeutical areas:
  • Nervous system
Mechanism of action:
  • PPI modulators
Structure:
  • Cyclic compounds

References: we are preparing a list of scientific research reports with S248-2800 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S248-2800?
Check Price and Availability of S248-2800, 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 S248-2800 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S248-2800
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S248-2800
  • 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 S248-2800 available by request