C534-0278 Screening compound: N-(2,2-dimethoxyethyl)-2-[6-(morpholine-4-sulfonyl)-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-4-yl]acetamide

C534-0278 Screening compound: N-(2,2-dimethoxyethyl)-2-[6-(morpholine-4-sulfonyl)-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-4-yl]acetamide
C534-0278 Screening compound: N-(2,2-dimethoxyethyl)-2-[6-(morpholine-4-sulfonyl)-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-4-yl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C534-0278
N-(2,2-dimethoxyethyl)-2-[6-(morpholine-4-sulfonyl)-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-4-yl]acetamide

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

C534-0278

Molecular Formula

C18H25N3O8S (C18 H25 N3 O8 S)

Compound Name

N-(2,2-dimethoxyethyl)-2-[6-(morpholine-4-sulfonyl)-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-4-yl]acetamide

IUPAC name

N-(22-dimethoxyethyl)-2-[6-(morpholine-4-sulfonyl)-3-oxo-34-dihydro-2H-14-benzoxazin-4-yl]acetamide

SMILES

COC(CNC(CN1c(cc(cc2)S(N3CCOCC3)(=O)=O)c2OCC1=O)=O)OC

InChI

InChI=1S/C18H25N3O8S/c1-26-18(27-2)10-19-16(22)11-21-14-9-13(3-4-15(14)29-12-17(21)23)30(24,25)20-5-7-28-8-6-20/h3-4,9,18H,5-8,10-12H2,1-2H3,(H,19,22)

InChI Key

DSPYKTWDGKZKIW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14768471

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

443.48

Hydrogen Bond Acceptors Count

13.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

11

Partition Coefficient, logP

-0.883

Distribution Coefficient, logD

-0.883

Water Solubility, LogSw

-2.38

Polar Surface Area

103.925

Acid Dissociation Constant (pKa)

13.79

Base Dissociation Constant (pKb)

-0.87

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

55.60

C534-0278 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Dark Chemical Matter Library (18430 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool
Agro:
  • Agro

References: we are preparing a list of scientific research reports with C534-0278 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C534-0278?
Check Price and Availability of C534-0278, 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 C534-0278 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C534-0278
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C534-0278
  • 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 C534-0278 available by request