SA87-1079 Screening compound: 2-(cyclohex-1-en-1-yl)-N-{[5-oxo-4-(2-phenylethyl)morpholin-2-yl]methyl}acetamide

SA87-1079 Screening compound: 2-(cyclohex-1-en-1-yl)-N-{[5-oxo-4-(2-phenylethyl)morpholin-2-yl]methyl}acetamide
SA87-1079 Screening compound: 2-(cyclohex-1-en-1-yl)-N-{[5-oxo-4-(2-phenylethyl)morpholin-2-yl]methyl}acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound SA87-1079
2-(cyclohex-1-en-1-yl)-N-{[5-oxo-4-(2-phenylethyl)morpholin-2-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

SA87-1079

Molecular Formula

C21H28N2O3 (C21 H28 N2 O3)

Compound Name

2-(cyclohex-1-en-1-yl)-N-{[5-oxo-4-(2-phenylethyl)morpholin-2-yl]methyl}acetamide

IUPAC name

2-(cyclohex-1-en-1-yl)-N-{[5-oxo-4-(2-phenylethyl)morpholin-2-yl]methyl}acetamide

SMILES

O=C(CC1=CCCCC1)NCC(CN1CCc2ccccc2)OCC1=O

InChI

InChI=1S/C21H28N2O3/c24-20(13-18-9-5-2-6-10-18)22-14-19-15-23(21(25)16-26-19)12-11-17-7-3-1-4-8-17/h1,3-4,7-9,19H,2,5-6,10-16H2,(H,22,24)/t19-/m1/s1

InChI Key

NNUHISRQHRCHRW-LJQANCHMSA-N

MDL Number (MFCD)

MFCD32242926

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

356.46

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

1.758

Distribution Coefficient, logD

1.758

Water Solubility, LogSw

-1.97

Polar Surface Area

50.033

Acid Dissociation Constant (pKa)

14.71

Base Dissociation Constant (pKb)

0.41

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

52.38

SA87-1079 in Drug Discovery

Included in Screening Libraries

3D-Diversity Natural-Product-Like Library (18102 compounds)

3D-Pharmacophore Based Diversity Library (49813 compounds)

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

Structure:
  • 3D
  • Mimetics
Mechanism of action:
  • PPI modulators
  • PPI modulators

References: we are preparing a list of scientific research reports with SA87-1079 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SA87-1079?
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What is the minimum amount of SA87-1079 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SA87-1079
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SA87-1079
  • 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 SA87-1079 available by request