SA47-0465 Screening compound: 7-ethyl-2-{5-[(4-methyl-1H-pyrazol-1-yl)methyl]-1,2-oxazole-3-carbonyl}-5-oxa-2-azaspiro[3.4]octan-7-ol

SA47-0465 Screening compound: 7-ethyl-2-{5-[(4-methyl-1H-pyrazol-1-yl)methyl]-1,2-oxazole-3-carbonyl}-5-oxa-2-azaspiro[3.4]octan-7-ol
SA47-0465 Screening compound: 7-ethyl-2-{5-[(4-methyl-1H-pyrazol-1-yl)methyl]-1,2-oxazole-3-carbonyl}-5-oxa-2-azaspiro[3.4]octan-7-ol alternative view

Chemical Structure Depiction of ChemDiv screening compound SA47-0465
7-ethyl-2-{5-[(4-methyl-1H-pyrazol-1-yl)methyl]-1,2-oxazole-3-carbonyl}-5-oxa-2-azaspiro[3.4]octan-7-ol

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

SA47-0465

Molecular Formula

C17H22N4O4 (C17 H22 N4 O4)

Compound Name

7-ethyl-2-{5-[(4-methyl-1H-pyrazol-1-yl)methyl]-1,2-oxazole-3-carbonyl}-5-oxa-2-azaspiro[3.4]octan-7-ol

IUPAC name

7-ethyl-2-{5-[(4-methyl-1H-pyrazol-1-yl)methyl]-12-oxazole-3-carbonyl}-5-oxa-2-azaspiro[3.4]octan-7-ol

SMILES

CCC1(COC(C2)(CN2C(c2noc(Cn3ncc(C)c3)c2)=O)C1)O

InChI

InChI=1S/C17H22N4O4/c1-3-16(23)8-17(24-11-16)9-20(10-17)15(22)14-4-13(25-19-14)7-21-6-12(2)5-18-21/h4-6,23H,3,7-11H2,1-2H3/t16-/m0/s1

InChI Key

TWYLRTLTCJBSRN-INIZCTEOSA-N

MDL Number (MFCD)

MFCD32236038

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

346.39

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

0.990

Distribution Coefficient, logD

0.990

Water Solubility, LogSw

-1.20

Polar Surface Area

75.606

Acid Dissociation Constant (pKa)

13.85

Base Dissociation Constant (pKb)

2.72

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

58.82

SA47-0465 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 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 SA47-0465 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SA47-0465?
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What is the minimum amount of SA47-0465 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SA47-0465
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SA47-0465
  • 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 SA47-0465 available by request