SA67-1050 Screening compound: 3-(3-{2-[1-(2,4-dimethoxybenzoyl)pyrrolidin-3-yl]ethyl}-1,2,4-oxadiazol-5-yl)pyridine

SA67-1050 Screening compound: 3-(3-{2-[1-(2,4-dimethoxybenzoyl)pyrrolidin-3-yl]ethyl}-1,2,4-oxadiazol-5-yl)pyridine
SA67-1050 Screening compound: 3-(3-{2-[1-(2,4-dimethoxybenzoyl)pyrrolidin-3-yl]ethyl}-1,2,4-oxadiazol-5-yl)pyridine alternative view

Chemical Structure Depiction of ChemDiv screening compound SA67-1050
3-(3-{2-[1-(2,4-dimethoxybenzoyl)pyrrolidin-3-yl]ethyl}-1,2,4-oxadiazol-5-yl)pyridine

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

SA67-1050

Molecular Formula

C22H24N4O4 (C22 H24 N4 O4)

Compound Name

3-(3-{2-[1-(2,4-dimethoxybenzoyl)pyrrolidin-3-yl]ethyl}-1,2,4-oxadiazol-5-yl)pyridine

IUPAC name

3-(3-{2-[1-(24-dimethoxybenzoyl)pyrrolidin-3-yl]ethyl}-124-oxadiazol-5-yl)pyridine

SMILES

COc(cc1)cc(OC)c1C(N1CC(CCc2noc(-c3cnccc3)n2)CC1)=O

InChI

InChI=1S/C22H24N4O4/c1-28-17-6-7-18(19(12-17)29-2)22(27)26-11-9-15(14-26)5-8-20-24-21(30-25-20)16-4-3-10-23-13-16/h3-4,6-7,10,12-13,15H,5,8-9,11,14H2,1-2H3/t15-/m1/s1

InChI Key

XNHAGUVHQSINJC-OAHLLOKOSA-N

MDL Number (MFCD)

MFCD32002389

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

408.46

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.624

Distribution Coefficient, logD

2.530

Water Solubility, LogSw

-2.70

Polar Surface Area

74.274

Acid Dissociation Constant (pKa)

25.36

Base Dissociation Constant (pKb)

6.78

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

36.36

SA67-1050 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 SA67-1050 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SA67-1050?
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What is the minimum amount of SA67-1050 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SA67-1050
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SA67-1050
  • 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 SA67-1050 available by request