S248-0455 Screening compound: {3-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-1-pyrrolidinyl}(4-pyridyl)methanone

S248-0455 Screening compound: {3-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-1-pyrrolidinyl}(4-pyridyl)methanone
S248-0455 Screening compound: {3-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-1-pyrrolidinyl}(4-pyridyl)methanone alternative view

Chemical Structure Depiction of ChemDiv screening compound S248-0455
{3-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-1-pyrrolidinyl}(4-pyridyl)methanone

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

S248-0455

Molecular Formula

C16H18N4O2 (C16 H18 N4 O2)

Compound Name

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

IUPAC name

4-{3-[(5-cyclopropyl-124-oxadiazol-3-yl)methyl]pyrrolidine-1-carbonyl}pyridine

SMILES

O=C(c1ccncc1)N1CC(Cc2noc(C3CC3)n2)CC1

InChI

InChI=1S/C16H18N4O2/c21-16(13-3-6-17-7-4-13)20-8-5-11(10-20)9-14-18-15(22-19-14)12-1-2-12/h3-4,6-7,11-12H,1-2,5,8-10H2/t11-/m0/s1

InChI Key

DCVNOEOZUBUMEX-NSHDSACASA-N

MDL Number (MFCD)

MFCD30462418

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

298.34

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

1.758

Distribution Coefficient, logD

1.755

Water Solubility, LogSw

-1.56

Polar Surface Area

59.534

Acid Dissociation Constant (pKa)

24.36

Base Dissociation Constant (pKb)

5.14

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

50.00

S248-0455 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)

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 S248-0455 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S248-0455?
Check Price and Availability of S248-0455, 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 S248-0455 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S248-0455
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S248-0455
  • 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 S248-0455 available by request