S615-0137 Screening compound: 5-[1-(2,4-dimethoxybenzoyl)pyrrolidin-3-yl]-3-[2-(4-fluorophenoxy)ethyl]-1,2,4-oxadiazole

S615-0137 Screening compound: 5-[1-(2,4-dimethoxybenzoyl)pyrrolidin-3-yl]-3-[2-(4-fluorophenoxy)ethyl]-1,2,4-oxadiazole
S615-0137 Screening compound: 5-[1-(2,4-dimethoxybenzoyl)pyrrolidin-3-yl]-3-[2-(4-fluorophenoxy)ethyl]-1,2,4-oxadiazole alternative view

Chemical Structure Depiction of ChemDiv screening compound S615-0137
5-[1-(2,4-dimethoxybenzoyl)pyrrolidin-3-yl]-3-[2-(4-fluorophenoxy)ethyl]-1,2,4-oxadiazole

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

S615-0137

Molecular Formula

C23H24FN3O5 (C23 H24 FN3 O5)

Compound Name

5-[1-(2,4-dimethoxybenzoyl)pyrrolidin-3-yl]-3-[2-(4-fluorophenoxy)ethyl]-1,2,4-oxadiazole

IUPAC name

5-[1-(24-dimethoxybenzoyl)pyrrolidin-3-yl]-3-[2-(4-fluorophenoxy)ethyl]-124-oxadiazole

SMILES

COc(cc1)cc(OC)c1C(N(CC1)CC1c1nc(CCOc(cc2)ccc2F)no1)=O

InChI

InChI=1S/C23H24FN3O5/c1-29-18-7-8-19(20(13-18)30-2)23(28)27-11-9-15(14-27)22-25-21(26-32-22)10-12-31-17-5-3-16(24)4-6-17/h3-8,13,15H,9-12,14H2,1-2H3/t15-/m0/s1

InChI Key

FSAPQUAUCZITJT-HNNXBMFYSA-N

MDL Number (MFCD)

MFCD31988245

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

441.46

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.847

Distribution Coefficient, logD

3.847

Water Solubility, LogSw

-3.91

Polar Surface Area

72.174

Acid Dissociation Constant (pKa)

26.18

Base Dissociation Constant (pKb)

-3.49

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

34.78

S615-0137 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 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 S615-0137 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S615-0137?
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What is the minimum amount of S615-0137 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S615-0137
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S615-0137
  • 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 S615-0137 available by request