S248-2744 Screening compound: 1-{3-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-1-pyrrolidinyl}-1-ethanone

S248-2744 Screening compound: 1-{3-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-1-pyrrolidinyl}-1-ethanone
S248-2744 Screening compound: 1-{3-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-1-pyrrolidinyl}-1-ethanone alternative view

Chemical Structure Depiction of ChemDiv screening compound S248-2744
1-{3-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-1-pyrrolidinyl}-1-ethanone

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

S248-2744

Molecular Formula

C12H17N3O2 (C12 H17 N3 O2)

Compound Name

1-{3-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-1-pyrrolidinyl}-1-ethanone

IUPAC name

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

SMILES

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

InChI

InChI=1S/C12H17N3O2/c1-8(16)15-5-4-9(7-15)6-11-13-12(17-14-11)10-2-3-10/h9-10H,2-7H2,1H3/t9-/m0/s1

InChI Key

RUFRVXLYKDKVQJ-VIFPVBQESA-N

MDL Number (MFCD)

MFCD30462420

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

235.29

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

1.720

Distribution Coefficient, logD

1.720

Water Solubility, LogSw

-1.78

Polar Surface Area

50.845

Acid Dissociation Constant (pKa)

24.36

Base Dissociation Constant (pKb)

0.58

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

75.00

S248-2744 in Drug Discovery

Included in Screening Libraries

3D-Fragment Library (4274 compounds)

Protein-Protein Interaction Library (218420 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 S248-2744 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S248-2744?
Check Price and Availability of S248-2744, 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 S248-2744 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S248-2744
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S248-2744
  • 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 S248-2744 available by request