SA67-1086 Screening compound: 3-{2-[5-(pyridin-3-yl)-1,2,4-oxadiazol-3-yl]ethyl}-N-[2-(trifluoromethyl)phenyl]pyrrolidine-1-carboxamide

SA67-1086 Screening compound: 3-{2-[5-(pyridin-3-yl)-1,2,4-oxadiazol-3-yl]ethyl}-N-[2-(trifluoromethyl)phenyl]pyrrolidine-1-carboxamide
SA67-1086 Screening compound: 3-{2-[5-(pyridin-3-yl)-1,2,4-oxadiazol-3-yl]ethyl}-N-[2-(trifluoromethyl)phenyl]pyrrolidine-1-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound SA67-1086
3-{2-[5-(pyridin-3-yl)-1,2,4-oxadiazol-3-yl]ethyl}-N-[2-(trifluoromethyl)phenyl]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

SA67-1086

Molecular Formula

C21H20F3N5O2 (C21 H20 F3 N5 O2)

Compound Name

3-{2-[5-(pyridin-3-yl)-1,2,4-oxadiazol-3-yl]ethyl}-N-[2-(trifluoromethyl)phenyl]pyrrolidine-1-carboxamide

IUPAC name

3-{2-[5-(pyridin-3-yl)-124-oxadiazol-3-yl]ethyl}-N-[2-(trifluoromethyl)phenyl]pyrrolidine-1-carboxamide

SMILES

O=C(Nc1c(C(F)(F)F)cccc1)N1CC(CCc2noc(-c3cnccc3)n2)CC1

InChI

InChI=1S/C21H20F3N5O2/c22-21(23,24)16-5-1-2-6-17(16)26-20(30)29-11-9-14(13-29)7-8-18-27-19(31-28-18)15-4-3-10-25-12-15/h1-6,10,12,14H,7-9,11,13H2,(H,26,30)/t14-/m1/s1

InChI Key

KHEBPLDBPOHEDB-CQSZACIVSA-N

MDL Number (MFCD)

MFCD32002633

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

431.42

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.851

Distribution Coefficient, logD

3.758

Water Solubility, LogSw

-4.02

Polar Surface Area

67.223

Acid Dissociation Constant (pKa)

13.79

Base Dissociation Constant (pKb)

6.78

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

33.33

SA67-1086 in Drug Discovery

Included in Screening Libraries

3D-Diversity Natural-Product-Like Library (18102 compounds)

CNS Targets (44014 compounds)

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

Protein-Protein Interaction Library (218420 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
  • Mimetics
Therapeutical areas:
  • Nervous system
Mechanism of action:
  • PPI modulators
  • PPI modulators

References: we are preparing a list of scientific research reports with SA67-1086 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SA67-1086?
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What is the minimum amount of SA67-1086 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SA67-1086
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SA67-1086
  • 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 SA67-1086 available by request