SA67-1058 Screening compound: 2-(3-chlorophenyl)-1-(3-{2-[5-(pyridin-3-yl)-1,2,4-oxadiazol-3-yl]ethyl}pyrrolidin-1-yl)ethan-1-one

SA67-1058 Screening compound: 2-(3-chlorophenyl)-1-(3-{2-[5-(pyridin-3-yl)-1,2,4-oxadiazol-3-yl]ethyl}pyrrolidin-1-yl)ethan-1-one
SA67-1058 Screening compound: 2-(3-chlorophenyl)-1-(3-{2-[5-(pyridin-3-yl)-1,2,4-oxadiazol-3-yl]ethyl}pyrrolidin-1-yl)ethan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound SA67-1058
2-(3-chlorophenyl)-1-(3-{2-[5-(pyridin-3-yl)-1,2,4-oxadiazol-3-yl]ethyl}pyrrolidin-1-yl)ethan-1-one

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

SA67-1058

Molecular Formula

C21H21ClN4O2 (C21 H21 ClN4 O2)

Compound Name

2-(3-chlorophenyl)-1-(3-{2-[5-(pyridin-3-yl)-1,2,4-oxadiazol-3-yl]ethyl}pyrrolidin-1-yl)ethan-1-one

IUPAC name

2-(3-chlorophenyl)-1-(3-{2-[5-(pyridin-3-yl)-124-oxadiazol-3-yl]ethyl}pyrrolidin-1-yl)ethan-1-one

SMILES

O=C(Cc1cccc(Cl)c1)N1CC(CCc2noc(-c3cnccc3)n2)CC1

InChI

InChI=1S/C21H21ClN4O2/c22-18-5-1-3-16(11-18)12-20(27)26-10-8-15(14-26)6-7-19-24-21(28-25-19)17-4-2-9-23-13-17/h1-5,9,11,13,15H,6-8,10,12,14H2/t15-/m1/s1

InChI Key

LEDGALNRZJVVRZ-OAHLLOKOSA-N

MDL Number (MFCD)

MFCD32002508

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

396.88

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.553

Distribution Coefficient, logD

3.460

Water Solubility, LogSw

-3.72

Polar Surface Area

58.573

Acid Dissociation Constant (pKa)

17.82

Base Dissociation Constant (pKb)

6.78

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

33.33

SA67-1058 in Drug Discovery

Included in Screening Libraries

CNS BBB Library (22607 compounds)

KRAS-Targeted Library (16000 compounds)

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

PPI Inhibitors Tripeptide Mimetics (23972 compounds)

Protein-Protein Interaction Library (218420 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
Targets:
  • Kinases
Mechanism of action:
  • PPI modulators
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics
  • Mimetics

References: we are preparing a list of scientific research reports with SA67-1058 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SA67-1058?
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What is the minimum amount of SA67-1058 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SA67-1058
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SA67-1058
  • 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 SA67-1058 available by request