SA87-1047 Screening compound: 1-(2,5-dimethoxyphenyl)-3-{[5-oxo-4-(2-phenylethyl)morpholin-2-yl]methyl}urea

SA87-1047 Screening compound: 1-(2,5-dimethoxyphenyl)-3-{[5-oxo-4-(2-phenylethyl)morpholin-2-yl]methyl}urea
SA87-1047 Screening compound: 1-(2,5-dimethoxyphenyl)-3-{[5-oxo-4-(2-phenylethyl)morpholin-2-yl]methyl}urea alternative view

Chemical Structure Depiction of ChemDiv screening compound SA87-1047
1-(2,5-dimethoxyphenyl)-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

SA87-1047

Molecular Formula

C22H27N3O5 (C22 H27 N3 O5)

Compound Name

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

IUPAC name

1-(25-dimethoxyphenyl)-3-{[5-oxo-4-(2-phenylethyl)morpholin-2-yl]methyl}urea

SMILES

COc(cc1)cc(NC(NCC(CN2CCc3ccccc3)OCC2=O)=O)c1OC

InChI

InChI=1S/C22H27N3O5/c1-28-17-8-9-20(29-2)19(12-17)24-22(27)23-13-18-14-25(21(26)15-30-18)11-10-16-6-4-3-5-7-16/h3-9,12,18H,10-11,13-15H2,1-2H3,(H2,23,24,27)/t18-/m1/s1

InChI Key

NDKRDSOAHNAUJN-GOSISDBHSA-N

MDL Number (MFCD)

MFCD32242803

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

413.47

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

1.782

Distribution Coefficient, logD

1.782

Water Solubility, LogSw

-2.24

Polar Surface Area

73.742

Acid Dissociation Constant (pKa)

11.39

Base Dissociation Constant (pKb)

0.39

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

36.36

SA87-1047 in Drug Discovery

Included in Screening Libraries

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

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

References: we are preparing a list of scientific research reports with SA87-1047 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SA87-1047?
Check Price and Availability of SA87-1047, 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 SA87-1047 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SA87-1047
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SA87-1047
  • 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 SA87-1047 available by request