SA87-0019 Screening compound: 1-benzyl-3-{[5-oxo-4-(2-phenylethyl)morpholin-2-yl]methyl}urea

SA87-0019 Screening compound: 1-benzyl-3-{[5-oxo-4-(2-phenylethyl)morpholin-2-yl]methyl}urea
SA87-0019 Screening compound: 1-benzyl-3-{[5-oxo-4-(2-phenylethyl)morpholin-2-yl]methyl}urea alternative view

Chemical Structure Depiction of ChemDiv screening compound SA87-0019
1-benzyl-3-{[5-oxo-4-(2-phenylethyl)morpholin-2-yl]methyl}urea

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

SA87-0019

Molecular Formula

C21H25N3O3 (C21 H25 N3 O3)

Compound Name

1-benzyl-3-{[5-oxo-4-(2-phenylethyl)morpholin-2-yl]methyl}urea

IUPAC name

1-benzyl-3-{[5-oxo-4-(2-phenylethyl)morpholin-2-yl]methyl}urea

SMILES

O=C(NCC(CN1CCc2ccccc2)OCC1=O)NCc1ccccc1

InChI

InChI=1S/C21H25N3O3/c25-20-16-27-19(15-24(20)12-11-17-7-3-1-4-8-17)14-23-21(26)22-13-18-9-5-2-6-10-18/h1-10,19H,11-16H2,(H2,22,23,26)/t19-/m1/s1

InChI Key

HXPGXASPMQAEAN-LJQANCHMSA-N

MDL Number (MFCD)

MFCD32242268

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

367.45

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

1.346

Distribution Coefficient, logD

1.346

Water Solubility, LogSw

-1.62

Polar Surface Area

60.588

Acid Dissociation Constant (pKa)

14.30

Base Dissociation Constant (pKb)

-0.12

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

33.33

SA87-0019 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 SA87-0019 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SA87-0019?
Check Price and Availability of SA87-0019, 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 SA87-0019 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SA87-0019
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SA87-0019
  • 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 SA87-0019 available by request