S068-0758 Screening compound: 2-methyl-5-[3-methyl-4-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidine-1-carbonyl]pyridine

S068-0758 Screening compound: 2-methyl-5-[3-methyl-4-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidine-1-carbonyl]pyridine
S068-0758 Screening compound: 2-methyl-5-[3-methyl-4-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidine-1-carbonyl]pyridine alternative view

Chemical Structure Depiction of ChemDiv screening compound S068-0758
2-methyl-5-[3-methyl-4-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidine-1-carbonyl]pyridine

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

S068-0758

Molecular Formula

C15H18N4O2 (C15 H18 N4 O2)

Compound Name

2-methyl-5-[3-methyl-4-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidine-1-carbonyl]pyridine

IUPAC name

2-methyl-5-[(3S4S)-3-methyl-4-(3-methyl-124-oxadiazol-5-yl)pyrrolidine-1-carbonyl]pyridine

SMILES

C[C@@H](CN(C1)C(c2cnc(C)cc2)=O)[C@H]1c1nc(C)no1

InChI

InChI=1S/C15H18N4O2/c1-9-7-19(8-13(9)14-17-11(3)18-21-14)15(20)12-5-4-10(2)16-6-12/h4-6,9,13H,7-8H2,1-3H3/t9-,13-/m1/s1

InChI Key

XJVJNRMRPNRRJA-NOZJJQNGSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

286.33

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

1.360

Distribution Coefficient, logD

1.360

Water Solubility, LogSw

-2.12

Polar Surface Area

57.354

Acid Dissociation Constant (pKa)

24.32

Base Dissociation Constant (pKb)

4.18

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

46.67

S068-0758 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Bcl2-PPI Inhibitors Library (12246 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)

Inhibitors of beta-Catenin Signaling (7445 compounds)

MDM2-p53 interaction inhibitors Library (21687 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Hemic and lymphatic
  • Cancer
Mechanism of action:
  • PPI modulators
  • PPI modulators
  • PPI modulators
Structure:
  • Cyclic compounds

References: we are preparing a list of scientific research reports with S068-0758 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S068-0758?
Check Price and Availability of S068-0758, 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 S068-0758 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S068-0758
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S068-0758
  • 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 S068-0758 available by request