SA49-0236 Screening compound: 2-[2-(4-methyl-1,3-oxazole-5-carbonyl)-5-oxa-2-azaspiro[3.4]octan-7-yl]-N-[(pyridin-4-yl)methyl]acetamide

SA49-0236 Screening compound: 2-[2-(4-methyl-1,3-oxazole-5-carbonyl)-5-oxa-2-azaspiro[3.4]octan-7-yl]-N-[(pyridin-4-yl)methyl]acetamide
SA49-0236 Screening compound: 2-[2-(4-methyl-1,3-oxazole-5-carbonyl)-5-oxa-2-azaspiro[3.4]octan-7-yl]-N-[(pyridin-4-yl)methyl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound SA49-0236
2-[2-(4-methyl-1,3-oxazole-5-carbonyl)-5-oxa-2-azaspiro[3.4]octan-7-yl]-N-[(pyridin-4-yl)methyl]acetamide

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

SA49-0236

Molecular Formula

C19H22N4O4 (C19 H22 N4 O4)

Compound Name

2-[2-(4-methyl-1,3-oxazole-5-carbonyl)-5-oxa-2-azaspiro[3.4]octan-7-yl]-N-[(pyridin-4-yl)methyl]acetamide

IUPAC name

2-[2-(4-methyl-13-oxazole-5-carbonyl)-5-oxa-2-azaspiro[3.4]octan-7-yl]-N-[(pyridin-4-yl)methyl]acetamide

SMILES

Cc1c(C(N(C2)CC22OCC(CC(NCc3ccncc3)=O)C2)=O)ocn1

InChI

InChI=1S/C19H22N4O4/c1-13-17(26-12-22-13)18(25)23-10-19(11-23)7-15(9-27-19)6-16(24)21-8-14-2-4-20-5-3-14/h2-5,12,15H,6-11H2,1H3,(H,21,24)/t15-/m1/s1

InChI Key

ADVPRXFVAOMNKN-OAHLLOKOSA-N

MDL Number (MFCD)

MFCD32237680

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

370.41

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

-0.058

Distribution Coefficient, logD

-0.061

Water Solubility, LogSw

-1.19

Polar Surface Area

77.093

Acid Dissociation Constant (pKa)

13.25

Base Dissociation Constant (pKb)

5.29

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

47.37

SA49-0236 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Protein Kinases Inhibitors Library (36801 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Peptidomimetic Library (37031 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with SA49-0236 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SA49-0236?
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What is the minimum amount of SA49-0236 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SA49-0236
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SA49-0236
  • 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 SA49-0236 available by request