SA67-1084 Screening compound: N-(2,3-dimethylphenyl)-3-{2-[5-(pyridin-3-yl)-1,2,4-oxadiazol-3-yl]ethyl}pyrrolidine-1-carboxamide

SA67-1084 Screening compound: N-(2,3-dimethylphenyl)-3-{2-[5-(pyridin-3-yl)-1,2,4-oxadiazol-3-yl]ethyl}pyrrolidine-1-carboxamide
SA67-1084 Screening compound: N-(2,3-dimethylphenyl)-3-{2-[5-(pyridin-3-yl)-1,2,4-oxadiazol-3-yl]ethyl}pyrrolidine-1-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound SA67-1084
N-(2,3-dimethylphenyl)-3-{2-[5-(pyridin-3-yl)-1,2,4-oxadiazol-3-yl]ethyl}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

SA67-1084

Molecular Formula

C22H25N5O2 (C22 H25 N5 O2)

Compound Name

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

IUPAC name

N-(23-dimethylphenyl)-3-{2-[5-(pyridin-3-yl)-124-oxadiazol-3-yl]ethyl}pyrrolidine-1-carboxamide

SMILES

Cc1cccc(NC(N2CC(CCc3noc(-c4cnccc4)n3)CC2)=O)c1C

InChI

InChI=1S/C22H25N5O2/c1-15-5-3-7-19(16(15)2)24-22(28)27-12-10-17(14-27)8-9-20-25-21(29-26-20)18-6-4-11-23-13-18/h3-7,11,13,17H,8-10,12,14H2,1-2H3,(H,24,28)/t17-/m1/s1

InChI Key

MXXHBARIIAFZEQ-QGZVFWFLSA-N

MDL Number (MFCD)

MFCD32002631

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

391.47

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.966

Distribution Coefficient, logD

3.872

Water Solubility, LogSw

-3.78

Polar Surface Area

67.223

Acid Dissociation Constant (pKa)

13.97

Base Dissociation Constant (pKb)

6.78

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

36.36

SA67-1084 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 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

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

References: we are preparing a list of scientific research reports with SA67-1084 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SA67-1084?
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What is the minimum amount of SA67-1084 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SA67-1084
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SA67-1084
  • 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 SA67-1084 available by request