SA87-0270 Screening compound: N-{[4-(2-methoxyethyl)-5-oxo-1,4-oxazinan-2-yl]methyl}-5-methyl-4-(phenoxymethyl)-3-isoxazolecarboxamide

SA87-0270 Screening compound: N-{[4-(2-methoxyethyl)-5-oxo-1,4-oxazinan-2-yl]methyl}-5-methyl-4-(phenoxymethyl)-3-isoxazolecarboxamide
SA87-0270 Screening compound: N-{[4-(2-methoxyethyl)-5-oxo-1,4-oxazinan-2-yl]methyl}-5-methyl-4-(phenoxymethyl)-3-isoxazolecarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound SA87-0270
N-{[4-(2-methoxyethyl)-5-oxo-1,4-oxazinan-2-yl]methyl}-5-methyl-4-(phenoxymethyl)-3-isoxazolecarboxamide

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

SA87-0270

Molecular Formula

C20H25N3O6 (C20 H25 N3 O6)

Compound Name

N-{[4-(2-methoxyethyl)-5-oxo-1,4-oxazinan-2-yl]methyl}-5-methyl-4-(phenoxymethyl)-3-isoxazolecarboxamide

IUPAC name

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

SMILES

Cc1c(COc2ccccc2)c(C(NCC(CN2CCOC)OCC2=O)=O)no1

InChI

InChI=1S/C20H25N3O6/c1-14-17(12-27-15-6-4-3-5-7-15)19(22-29-14)20(25)21-10-16-11-23(8-9-26-2)18(24)13-28-16/h3-7,16H,8-13H2,1-2H3,(H,21,25)/t16-/m1/s1

InChI Key

BFIHGXPGNWEEOE-MRXNPFEDSA-N

MDL Number (MFCD)

MFCD32241391

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

403.44

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

0.448

Distribution Coefficient, logD

0.448

Water Solubility, LogSw

-1.70

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

45.00

SA87-0270 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 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 SA87-0270 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SA87-0270?
Check Price and Availability of SA87-0270, 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 SA87-0270 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SA87-0270
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SA87-0270
  • 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 SA87-0270 available by request