S248-3676 Screening compound: N-(tert-butyl)-3-{[5-(4-pyridyl)-1,2,4-oxadiazol-3-yl]methyl}-1-pyrrolidinecarboxamide

S248-3676 Screening compound: N-(tert-butyl)-3-{[5-(4-pyridyl)-1,2,4-oxadiazol-3-yl]methyl}-1-pyrrolidinecarboxamide
S248-3676 Screening compound: N-(tert-butyl)-3-{[5-(4-pyridyl)-1,2,4-oxadiazol-3-yl]methyl}-1-pyrrolidinecarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound S248-3676
N-(tert-butyl)-3-{[5-(4-pyridyl)-1,2,4-oxadiazol-3-yl]methyl}-1-pyrrolidinecarboxamide

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

S248-3676

Molecular Formula

C17H23N5O2 (C17 H23 N5 O2)

Compound Name

N-(tert-butyl)-3-{[5-(4-pyridyl)-1,2,4-oxadiazol-3-yl]methyl}-1-pyrrolidinecarboxamide

IUPAC name

N-tert-butyl-3-{[5-(pyridin-4-yl)-124-oxadiazol-3-yl]methyl}pyrrolidine-1-carboxamide

SMILES

CC(C)(C)NC(N1CC(Cc2noc(-c3ccncc3)n2)CC1)=O

InChI

InChI=1S/C17H23N5O2/c1-17(2,3)20-16(23)22-9-6-12(11-22)10-14-19-15(24-21-14)13-4-7-18-8-5-13/h4-5,7-8,12H,6,9-11H2,1-3H3,(H,20,23)/t12-/m0/s1

InChI Key

BLJNMXSYCVOLCN-LBPRGKRZSA-N

MDL Number (MFCD)

MFCD31975817

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

329.4

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.470

Distribution Coefficient, logD

2.469

Water Solubility, LogSw

-2.48

Polar Surface Area

68.249

Acid Dissociation Constant (pKa)

16.58

Base Dissociation Constant (pKb)

4.57

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

52.94

S248-3676 in Drug Discovery

Included in Screening Libraries

3D-Diversity Natural-Product-Like Library (18102 compounds)

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

Structure:
  • 3D
  • Cyclic compounds
Therapeutical areas:
  • Nervous system
Mechanism of action:
  • PPI modulators

References: we are preparing a list of scientific research reports with S248-3676 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S248-3676?
Check Price and Availability of S248-3676, 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 S248-3676 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S248-3676
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S248-3676
  • 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 S248-3676 available by request