S615-0720 Screening compound: 3-(3-{3-[2-(4-fluorophenoxy)ethyl]-1,2,4-oxadiazol-5-yl}pyrrolidine-1-carbonyl)-2-methylpyridine

S615-0720 Screening compound: 3-(3-{3-[2-(4-fluorophenoxy)ethyl]-1,2,4-oxadiazol-5-yl}pyrrolidine-1-carbonyl)-2-methylpyridine
S615-0720 Screening compound: 3-(3-{3-[2-(4-fluorophenoxy)ethyl]-1,2,4-oxadiazol-5-yl}pyrrolidine-1-carbonyl)-2-methylpyridine alternative view

Chemical Structure Depiction of ChemDiv screening compound S615-0720
3-(3-{3-[2-(4-fluorophenoxy)ethyl]-1,2,4-oxadiazol-5-yl}pyrrolidine-1-carbonyl)-2-methylpyridine

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

S615-0720

Molecular Formula

C21H21FN4O3 (C21 H21 FN4 O3)

Compound Name

3-(3-{3-[2-(4-fluorophenoxy)ethyl]-1,2,4-oxadiazol-5-yl}pyrrolidine-1-carbonyl)-2-methylpyridine

IUPAC name

3-(3-{3-[2-(4-fluorophenoxy)ethyl]-124-oxadiazol-5-yl}pyrrolidine-1-carbonyl)-2-methylpyridine

SMILES

Cc(nccc1)c1C(N(CC1)CC1c1nc(CCOc(cc2)ccc2F)no1)=O

InChI

InChI=1S/C21H21FN4O3/c1-14-18(3-2-10-23-14)21(27)26-11-8-15(13-26)20-24-19(25-29-20)9-12-28-17-6-4-16(22)5-7-17/h2-7,10,15H,8-9,11-13H2,1H3/t15-/m0/s1

InChI Key

KSLVOSPAOMZYKZ-HNNXBMFYSA-N

MDL Number (MFCD)

MFCD31991581

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

396.42

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.101

Distribution Coefficient, logD

3.100

Water Solubility, LogSw

-3.19

Polar Surface Area

66.625

Acid Dissociation Constant (pKa)

25.67

Base Dissociation Constant (pKb)

4.18

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

33.33

S615-0720 in Drug Discovery

Included in Screening Libraries

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 S615-0720 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S615-0720?
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What is the minimum amount of S615-0720 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S615-0720
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S615-0720
  • 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 S615-0720 available by request