SA67-0805 Screening compound: 3-(3-{2-[5-(oxan-4-yl)-1,2,4-oxadiazol-3-yl]ethyl}pyrrolidine-1-carbonyl)-1H-indazole

SA67-0805 Screening compound: 3-(3-{2-[5-(oxan-4-yl)-1,2,4-oxadiazol-3-yl]ethyl}pyrrolidine-1-carbonyl)-1H-indazole
SA67-0805 Screening compound: 3-(3-{2-[5-(oxan-4-yl)-1,2,4-oxadiazol-3-yl]ethyl}pyrrolidine-1-carbonyl)-1H-indazole alternative view

Chemical Structure Depiction of ChemDiv screening compound SA67-0805
3-(3-{2-[5-(oxan-4-yl)-1,2,4-oxadiazol-3-yl]ethyl}pyrrolidine-1-carbonyl)-1H-indazole

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

SA67-0805

Molecular Formula

C21H25N5O3 (C21 H25 N5 O3)

Compound Name

3-(3-{2-[5-(oxan-4-yl)-1,2,4-oxadiazol-3-yl]ethyl}pyrrolidine-1-carbonyl)-1H-indazole

IUPAC name

3-(3-{2-[5-(oxan-4-yl)-124-oxadiazol-3-yl]ethyl}pyrrolidine-1-carbonyl)-1H-indazole

SMILES

O=C(c1n[nH]c2c1cccc2)N1CC(CCc2noc(C3CCOCC3)n2)CC1

InChI

InChI=1S/C21H25N5O3/c27-21(19-16-3-1-2-4-17(16)23-24-19)26-10-7-14(13-26)5-6-18-22-20(29-25-18)15-8-11-28-12-9-15/h1-4,14-15H,5-13H2,(H,23,24)/t14-/m1/s1

InChI Key

LNCGKPXWHUNWPH-CQSZACIVSA-N

MDL Number (MFCD)

MFCD32002741

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

395.46

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.151

Distribution Coefficient, logD

3.151

Water Solubility, LogSw

-3.17

Polar Surface Area

80.930

Acid Dissociation Constant (pKa)

14.84

Base Dissociation Constant (pKb)

-0.70

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

52.38

SA67-0805 in Drug Discovery

Included in Screening Libraries

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

Protein Kinases Inhibitors Library (36801 compounds)

Protein-Protein Interaction Library (218420 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with SA67-0805 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SA67-0805?
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What is the minimum amount of SA67-0805 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SA67-0805
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SA67-0805
  • 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 SA67-0805 available by request