S681-0189 Screening compound: 5-oxo-3-phenylmorpholine-2-carboxylic acid

S681-0189 Screening compound: 5-oxo-3-phenylmorpholine-2-carboxylic acid
S681-0189 Screening compound: 5-oxo-3-phenylmorpholine-2-carboxylic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound S681-0189
5-oxo-3-phenylmorpholine-2-carboxylic acid

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

S681-0189

Molecular Formula

C11H11NO4 (C11 H11 NO4)

Compound Name

5-oxo-3-phenylmorpholine-2-carboxylic acid

IUPAC name

(2R3S)-5-oxo-3-phenylmorpholine-2-carboxylic acid

SMILES

OC([C@H]([C@@H](c1ccccc1)N1)OCC1=O)=O

InChI

InChI=1S/C11H11NO4/c13-8-6-16-10(11(14)15)9(12-8)7-4-2-1-3-5-7/h1-5,9-10H,6H2,(H,12,13)(H,14,15)/t9-,10-/m1/s1

InChI Key

QTWMTIQMIXQGGG-NXEZZACHSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

221.21

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

0.080

Distribution Coefficient, logD

-2.990

Water Solubility, LogSw

-1.53

Polar Surface Area

63.147

Acid Dissociation Constant (pKa)

4.33

Base Dissociation Constant (pKb)

-4.93

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

27.27

S681-0189 in Drug Discovery

Included in Screening Libraries

3D-Fragment Library (4274 compounds)

Cardiovascular Library (22201 compounds)

Protein-Protein Interaction Library (218420 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
  • Fragments
  • Cyclic compounds
Therapeutical areas:
  • Cardiovascular
Mechanism of action:
  • PPI modulators

References: we are preparing a list of scientific research reports with S681-0189 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S681-0189?
Check Price and Availability of S681-0189, 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 S681-0189 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S681-0189
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S681-0189
  • 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 S681-0189 available by request