1227-0055 Screening compound: 2-oxo-2-phenylethyl 3-(morpholine-4-sulfonyl)benzoate

1227-0055 Screening compound: 2-oxo-2-phenylethyl 3-(morpholine-4-sulfonyl)benzoate
1227-0055 Screening compound: 2-oxo-2-phenylethyl 3-(morpholine-4-sulfonyl)benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 1227-0055
2-oxo-2-phenylethyl 3-(morpholine-4-sulfonyl)benzoate

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

1227-0055

Molecular Formula

C19H19NO6S (C19 H19 NO6 S)

Compound Name

2-oxo-2-phenylethyl 3-(morpholine-4-sulfonyl)benzoate

IUPAC name

2-oxo-2-phenylethyl 3-(morpholine-4-sulfonyl)benzoate

SMILES

O=C(COC(c1cccc(S(N2CCOCC2)(=O)=O)c1)=O)c1ccccc1

InChI

InChI=1S/C19H19NO6S/c21-18(15-5-2-1-3-6-15)14-26-19(22)16-7-4-8-17(13-16)27(23,24)20-9-11-25-12-10-20/h1-8,13H,9-12,14H2

InChI Key

XIENEDQJYWXVME-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00760896

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

389.43

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.242

Distribution Coefficient, logD

2.242

Water Solubility, LogSw

-2.66

Polar Surface Area

73.963

Acid Dissociation Constant (pKa)

22.85

Base Dissociation Constant (pKb)

-7.07

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

26.30

1227-0055 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Frequent Hitters Library (7624 compounds)

Selective Target Activity Profiling Library (14702 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
  • Pool

References: we are preparing a list of scientific research reports with 1227-0055 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1227-0055?
Check Price and Availability of 1227-0055, 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 1227-0055 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1227-0055
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1227-0055
  • 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 1227-0055 available by request