SA57-0463 Screening compound: 9-(1H-indole-2-carbonyl)-4-[(4-methylpyridin-2-yl)oxy]-1-oxa-9-azaspiro[5.5]undecane

SA57-0463 Screening compound: 9-(1H-indole-2-carbonyl)-4-[(4-methylpyridin-2-yl)oxy]-1-oxa-9-azaspiro[5.5]undecane
SA57-0463 Screening compound: 9-(1H-indole-2-carbonyl)-4-[(4-methylpyridin-2-yl)oxy]-1-oxa-9-azaspiro[5.5]undecane alternative view

Chemical Structure Depiction of ChemDiv screening compound SA57-0463
9-(1H-indole-2-carbonyl)-4-[(4-methylpyridin-2-yl)oxy]-1-oxa-9-azaspiro[5.5]undecane

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

SA57-0463

Molecular Formula

C24H27N3O3 (C24 H27 N3 O3)

Compound Name

9-(1H-indole-2-carbonyl)-4-[(4-methylpyridin-2-yl)oxy]-1-oxa-9-azaspiro[5.5]undecane

IUPAC name

9-(1H-indole-2-carbonyl)-4-[(4-methylpyridin-2-yl)oxy]-1-oxa-9-azaspiro[5.5]undecane

SMILES

Cc1cc(OC2CC(CC3)(CCN3C(c3cc(cccc4)c4[nH]3)=O)OCC2)ncc1

InChI

InChI=1S/C24H27N3O3/c1-17-6-10-25-22(14-17)30-19-7-13-29-24(16-19)8-11-27(12-9-24)23(28)21-15-18-4-2-3-5-20(18)26-21/h2-6,10,14-15,19,26H,7-9,11-13,16H2,1H3/t19-/m1/s1

InChI Key

KGILPPDZRWHWAV-LJQANCHMSA-N

MDL Number (MFCD)

MFCD31999618

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

405.5

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.895

Distribution Coefficient, logD

3.895

Water Solubility, LogSw

-3.72

Polar Surface Area

48.048

Acid Dissociation Constant (pKa)

15.07

Base Dissociation Constant (pKb)

1.83

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

41.67

SA57-0463 in Drug Discovery

Included in Screening Libraries

KRAS-Targeted Library (16000 compounds)

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

Protein-Protein Interaction Library (218420 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with SA57-0463 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SA57-0463?
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What is the minimum amount of SA57-0463 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SA57-0463
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SA57-0463
  • 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 SA57-0463 available by request