SA46-1519 Screening compound: 2-{4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoyl}-7-(4-methylpiperazin-1-yl)-5-oxa-2-azaspiro[3.4]octane

SA46-1519 Screening compound: 2-{4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoyl}-7-(4-methylpiperazin-1-yl)-5-oxa-2-azaspiro[3.4]octane
SA46-1519 Screening compound: 2-{4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoyl}-7-(4-methylpiperazin-1-yl)-5-oxa-2-azaspiro[3.4]octane alternative view

Chemical Structure Depiction of ChemDiv screening compound SA46-1519
2-{4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoyl}-7-(4-methylpiperazin-1-yl)-5-oxa-2-azaspiro[3.4]octane

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

SA46-1519

Molecular Formula

C24H32N4O4 (C24 H32 N4 O4)

Compound Name

2-{4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoyl}-7-(4-methylpiperazin-1-yl)-5-oxa-2-azaspiro[3.4]octane

IUPAC name

2-{4-[(35-dimethyl-12-oxazol-4-yl)methoxy]benzoyl}-7-(4-methylpiperazin-1-yl)-5-oxa-2-azaspiro[3.4]octane

SMILES

Cc1noc(C)c1COc(cc1)ccc1C(N(C1)CC1(C1)OCC1N1CCN(C)CC1)=O

InChI

InChI=1S/C24H32N4O4/c1-17-22(18(2)32-25-17)14-30-21-6-4-19(5-7-21)23(29)28-15-24(16-28)12-20(13-31-24)27-10-8-26(3)9-11-27/h4-7,20H,8-16H2,1-3H3/t20-/m1/s1

InChI Key

XGRIEZZVZCOGEO-HXUWFJFHSA-N

MDL Number (MFCD)

MFCD32236498

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

440.54

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

1.312

Distribution Coefficient, logD

0.673

Water Solubility, LogSw

-1.89

Polar Surface Area

60.386

Acid Dissociation Constant (pKa)

25.37

Base Dissociation Constant (pKb)

7.93

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

58.33

SA46-1519 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

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

Protein Kinases Inhibitors Library (36801 compounds)

Included in 1.7M Stock Database

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 SA46-1519 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SA46-1519?
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What is the minimum amount of SA46-1519 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SA46-1519
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SA46-1519
  • 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 SA46-1519 available by request