C534-0353 Screening compound: N-{3-[butyl(methyl)amino]propyl}-2-[6-(morpholine-4-sulfonyl)-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-4-yl]acetamide

C534-0353 Screening compound: N-{3-[butyl(methyl)amino]propyl}-2-[6-(morpholine-4-sulfonyl)-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-4-yl]acetamide
C534-0353 Screening compound: N-{3-[butyl(methyl)amino]propyl}-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 C534-0353
N-{3-[butyl(methyl)amino]propyl}-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

C534-0353

Molecular Formula

C22H34N4O6S (C22 H34 N4 O6 S)

Compound Name

N-{3-[butyl(methyl)amino]propyl}-2-[6-(morpholine-4-sulfonyl)-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-4-yl]acetamide

IUPAC name

N-{3-[butyl(methyl)amino]propyl}-2-[6-(morpholine-4-sulfonyl)-3-oxo-34-dihydro-2H-14-benzoxazin-4-yl]acetamide

SMILES

CCCCN(C)CCCNC(CN1c(cc(cc2)S(N3CCOCC3)(=O)=O)c2OCC1=O)=O

InChI

InChI=1S/C22H34N4O6S/c1-3-4-9-24(2)10-5-8-23-21(27)16-26-19-15-18(6-7-20(19)32-17-22(26)28)33(29,30)25-11-13-31-14-12-25/h6-7,15H,3-5,8-14,16-17H2,1-2H3,(H,23,27)

InChI Key

KFVWOMKIUWJVSP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14768491

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

482.6

Hydrogen Bond Acceptors Count

12.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

0.698

Distribution Coefficient, logD

-1.899

Water Solubility, LogSw

-2.60

Polar Surface Area

92.345

Acid Dissociation Constant (pKa)

15.51

Base Dissociation Constant (pKb)

10.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

63.60

C534-0353 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Human Proteases Annotated Library (2868 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

References: we are preparing a list of scientific research reports with C534-0353 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C534-0353?
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What is the minimum amount of C534-0353 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C534-0353
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C534-0353
  • 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 C534-0353 available by request