S935-0085 Screening compound: 2-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]-N-propylpyrrolidine-1-carboxamide

S935-0085 Screening compound: 2-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]-N-propylpyrrolidine-1-carboxamide
S935-0085 Screening compound: 2-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]-N-propylpyrrolidine-1-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound S935-0085
2-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]-N-propylpyrrolidine-1-carboxamide

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

S935-0085

Molecular Formula

C17H22N4O2 (C17 H22 N4 O2)

Compound Name

2-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]-N-propylpyrrolidine-1-carboxamide

IUPAC name

2-[(5-phenyl-124-oxadiazol-3-yl)methyl]-N-propylpyrrolidine-1-carboxamide

SMILES

CCCNC(N1C(Cc2noc(-c3ccccc3)n2)CCC1)=O

InChI

InChI=1S/C17H22N4O2/c1-2-10-18-17(22)21-11-6-9-14(21)12-15-19-16(23-20-15)13-7-4-3-5-8-13/h3-5,7-8,14H,2,6,9-12H2,1H3,(H,18,22)/t14-/m1/s1

InChI Key

JARJVZWYIFPHGR-CQSZACIVSA-N

MDL Number (MFCD)

MFCD31995509

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

314.39

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.227

Distribution Coefficient, logD

3.227

Water Solubility, LogSw

-3.23

Polar Surface Area

59.551

Acid Dissociation Constant (pKa)

17.38

Base Dissociation Constant (pKb)

2.38

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

47.06

S935-0085 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

CNS MPO Library (28609 compounds)

Protein-Protein Interaction Library (218420 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 S935-0085 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S935-0085?
Check Price and Availability of S935-0085, 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 S935-0085 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S935-0085
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S935-0085
  • 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 S935-0085 available by request