SA87-0962 Screening compound: N-{[4-(2-methoxyethyl)-5-oxomorpholin-2-yl]methyl}-5-methyl-4-[(4-methylphenoxy)methyl]-1,2-oxazole-3-carboxamide

SA87-0962 Screening compound: N-{[4-(2-methoxyethyl)-5-oxomorpholin-2-yl]methyl}-5-methyl-4-[(4-methylphenoxy)methyl]-1,2-oxazole-3-carboxamide
SA87-0962 Screening compound: N-{[4-(2-methoxyethyl)-5-oxomorpholin-2-yl]methyl}-5-methyl-4-[(4-methylphenoxy)methyl]-1,2-oxazole-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound SA87-0962
N-{[4-(2-methoxyethyl)-5-oxomorpholin-2-yl]methyl}-5-methyl-4-[(4-methylphenoxy)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

SA87-0962

Molecular Formula

C21H27N3O6 (C21 H27 N3 O6)

Compound Name

N-{[4-(2-methoxyethyl)-5-oxomorpholin-2-yl]methyl}-5-methyl-4-[(4-methylphenoxy)methyl]-1,2-oxazole-3-carboxamide

IUPAC name

N-{[4-(2-methoxyethyl)-5-oxomorpholin-2-yl]methyl}-5-methyl-4-[(4-methylphenoxy)methyl]-12-oxazole-3-carboxamide

SMILES

Cc1c(COc2ccc(C)cc2)c(C(NCC(CN2CCOC)OCC2=O)=O)no1

InChI

InChI=1S/C21H27N3O6/c1-14-4-6-16(7-5-14)28-12-18-15(2)30-23-20(18)21(26)22-10-17-11-24(8-9-27-3)19(25)13-29-17/h4-7,17H,8-13H2,1-3H3,(H,22,26)/t17-/m1/s1

InChI Key

XLEQKGPAZBGJQO-QGZVFWFLSA-N

MDL Number (MFCD)

MFCD32241910

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

417.46

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

0.900

Distribution Coefficient, logD

0.900

Water Solubility, LogSw

-1.81

Polar Surface Area

88.127

Acid Dissociation Constant (pKa)

13.69

Base Dissociation Constant (pKb)

-1.59

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

47.62

SA87-0962 in Drug Discovery

Included in Screening Libraries

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

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

Protein-Protein Interaction Library (218420 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with SA87-0962 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SA87-0962?
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What is the minimum amount of SA87-0962 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SA87-0962
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SA87-0962
  • 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 SA87-0962 available by request