SA87-1033 Screening compound: 2-cyclohexyl-N-{[5-oxo-4-(2-phenylethyl)morpholin-2-yl]methyl}acetamide

SA87-1033 Screening compound: 2-cyclohexyl-N-{[5-oxo-4-(2-phenylethyl)morpholin-2-yl]methyl}acetamide
SA87-1033 Screening compound: 2-cyclohexyl-N-{[5-oxo-4-(2-phenylethyl)morpholin-2-yl]methyl}acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound SA87-1033
2-cyclohexyl-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

SA87-1033

Molecular Formula

C21H30N2O3 (C21 H30 N2 O3)

Compound Name

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

IUPAC name

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

SMILES

O=C(CC1CCCCC1)NCC(CN1CCc2ccccc2)OCC1=O

InChI

InChI=1S/C21H30N2O3/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/h1,3-4,7-8,18-19H,2,5-6,9-16H2,(H,22,24)/t19-/m1/s1

InChI Key

WOOSSZFFNMYBIE-LJQANCHMSA-N

MDL Number (MFCD)

MFCD32242678

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

358.48

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

2.309

Distribution Coefficient, logD

2.309

Water Solubility, LogSw

-2.63

Polar Surface Area

50.033

Acid Dissociation Constant (pKa)

14.66

Base Dissociation Constant (pKb)

-0.76

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

61.90

SA87-1033 in Drug Discovery

Included in Screening Libraries

3D-Diversity Natural-Product-Like Library (18102 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 SA87-1033 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SA87-1033?
Check Price and Availability of SA87-1033, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of SA87-1033 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SA87-1033
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SA87-1033
  • 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 SA87-1033 available by request