SA87-0113 Screening compound: 5-[(4-methyl-1H-pyrazol-1-yl)methyl]-N-{[4-(2-methylpropyl)-5-oxomorpholin-2-yl]methyl}-1,2-oxazole-3-carboxamide

SA87-0113 Screening compound: 5-[(4-methyl-1H-pyrazol-1-yl)methyl]-N-{[4-(2-methylpropyl)-5-oxomorpholin-2-yl]methyl}-1,2-oxazole-3-carboxamide
SA87-0113 Screening compound: 5-[(4-methyl-1H-pyrazol-1-yl)methyl]-N-{[4-(2-methylpropyl)-5-oxomorpholin-2-yl]methyl}-1,2-oxazole-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound SA87-0113
5-[(4-methyl-1H-pyrazol-1-yl)methyl]-N-{[4-(2-methylpropyl)-5-oxomorpholin-2-yl]methyl}-1,2-oxazole-3-carboxamide

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

SA87-0113

Molecular Formula

C18H25N5O4 (C18 H25 N5 O4)

Compound Name

5-[(4-methyl-1H-pyrazol-1-yl)methyl]-N-{[4-(2-methylpropyl)-5-oxomorpholin-2-yl]methyl}-1,2-oxazole-3-carboxamide

IUPAC name

5-[(4-methyl-1H-pyrazol-1-yl)methyl]-N-{[4-(2-methylpropyl)-5-oxomorpholin-2-yl]methyl}-12-oxazole-3-carboxamide

SMILES

CC(C)CN(CC(CNC(c1noc(Cn2ncc(C)c2)c1)=O)OC1)C1=O

InChI

InChI=1S/C18H25N5O4/c1-12(2)7-22-9-15(26-11-17(22)24)6-19-18(25)16-4-14(27-21-16)10-23-8-13(3)5-20-23/h4-5,8,12,15H,6-7,9-11H2,1-3H3,(H,19,25)/t15-/m1/s1

InChI Key

ONOQTGOCVXZHKT-OAHLLOKOSA-N

MDL Number (MFCD)

MFCD32242653

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

375.43

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

0.621

Distribution Coefficient, logD

0.621

Water Solubility, LogSw

-1.71

Polar Surface Area

85.830

Acid Dissociation Constant (pKa)

14.49

Base Dissociation Constant (pKb)

2.72

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

55.56

SA87-0113 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

CNS MPO Library (28609 compounds)

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

Protein-Protein Interaction Library (218420 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with SA87-0113 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SA87-0113?
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What is the minimum amount of SA87-0113 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SA87-0113
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SA87-0113
  • 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 SA87-0113 available by request