S615-0817 Screening compound: 3-{3-[2-(cyclopentylmethoxy)ethyl]-1,2,4-oxadiazol-5-yl}-N~1~,N~1~-dimethyl-1-pyrrolidinecarboxamide

S615-0817 Screening compound: 3-{3-[2-(cyclopentylmethoxy)ethyl]-1,2,4-oxadiazol-5-yl}-N~1~,N~1~-dimethyl-1-pyrrolidinecarboxamide
S615-0817 Screening compound: 3-{3-[2-(cyclopentylmethoxy)ethyl]-1,2,4-oxadiazol-5-yl}-N~1~,N~1~-dimethyl-1-pyrrolidinecarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound S615-0817
3-{3-[2-(cyclopentylmethoxy)ethyl]-1,2,4-oxadiazol-5-yl}-N~1~,N~1~-dimethyl-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

S615-0817

Molecular Formula

C17H28N4O3 (C17 H28 N4 O3)

Compound Name

3-{3-[2-(cyclopentylmethoxy)ethyl]-1,2,4-oxadiazol-5-yl}-N~1~,N~1~-dimethyl-1-pyrrolidinecarboxamide

IUPAC name

3-{3-[2-(cyclopentylmethoxy)ethyl]-124-oxadiazol-5-yl}-NN-dimethylpyrrolidine-1-carboxamide

SMILES

CN(C)C(N(CC1)CC1c1nc(CCOCC2CCCC2)no1)=O

InChI

InChI=1S/C17H28N4O3/c1-20(2)17(22)21-9-7-14(11-21)16-18-15(19-24-16)8-10-23-12-13-5-3-4-6-13/h13-14H,3-12H2,1-2H3/t14-/m1/s1

InChI Key

JXFOMUXOKMYBAA-CQSZACIVSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

336.43

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.594

Distribution Coefficient, logD

2.594

Water Solubility, LogSw

-2.46

Polar Surface Area

59.652

Acid Dissociation Constant (pKa)

25.58

Base Dissociation Constant (pKb)

-1.13

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

82.35

S615-0817 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Protein-Protein Interaction Library (218420 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
Structure:
  • Cyclic compounds

References: we are preparing a list of scientific research reports with S615-0817 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S615-0817?
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What is the minimum amount of S615-0817 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S615-0817
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S615-0817
  • 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 S615-0817 available by request