S615-0557 Screening compound: 3-{3-[2-(cyclopentylmethoxy)ethyl]-1,2,4-oxadiazol-5-yl}-N-(3,4-dimethylphenyl)pyrrolidine-1-carboxamide

S615-0557 Screening compound: 3-{3-[2-(cyclopentylmethoxy)ethyl]-1,2,4-oxadiazol-5-yl}-N-(3,4-dimethylphenyl)pyrrolidine-1-carboxamide
S615-0557 Screening compound: 3-{3-[2-(cyclopentylmethoxy)ethyl]-1,2,4-oxadiazol-5-yl}-N-(3,4-dimethylphenyl)pyrrolidine-1-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound S615-0557
3-{3-[2-(cyclopentylmethoxy)ethyl]-1,2,4-oxadiazol-5-yl}-N-(3,4-dimethylphenyl)pyrrolidine-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

S615-0557

Molecular Formula

C23H32N4O3 (C23 H32 N4 O3)

Compound Name

3-{3-[2-(cyclopentylmethoxy)ethyl]-1,2,4-oxadiazol-5-yl}-N-(3,4-dimethylphenyl)pyrrolidine-1-carboxamide

IUPAC name

3-{3-[2-(cyclopentylmethoxy)ethyl]-124-oxadiazol-5-yl}-N-(34-dimethylphenyl)pyrrolidine-1-carboxamide

SMILES

Cc(cc1)c(C)cc1NC(N(CC1)CC1c1nc(CCOCC2CCCC2)no1)=O

InChI

InChI=1S/C23H32N4O3/c1-16-7-8-20(13-17(16)2)24-23(28)27-11-9-19(14-27)22-25-21(26-30-22)10-12-29-15-18-5-3-4-6-18/h7-8,13,18-19H,3-6,9-12,14-15H2,1-2H3,(H,24,28)/t19-/m1/s1

InChI Key

QUQKXIZETSABPH-LJQANCHMSA-N

MDL Number (MFCD)

MFCD31980798

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

412.53

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.943

Distribution Coefficient, logD

4.943

Water Solubility, LogSw

-4.54

Polar Surface Area

67.314

Acid Dissociation Constant (pKa)

13.99

Base Dissociation Constant (pKb)

0.28

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

60.87

S615-0557 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

PPI Helix Turn 3D-Mimetics Library (71298 compounds)

Protein-Protein Interaction Library (218420 compounds)

Alpha-Helix Mimetics Library (25899 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with S615-0557 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S615-0557?
Check Price and Availability of S615-0557, 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 S615-0557 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S615-0557
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S615-0557
  • 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 S615-0557 available by request