C534-0155 Screening compound: 2-[6-(diethylsulfamoyl)-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-4-yl]-N-[3-(3,5-dimethylpiperidin-1-yl)propyl]acetamide

C534-0155 Screening compound: 2-[6-(diethylsulfamoyl)-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-4-yl]-N-[3-(3,5-dimethylpiperidin-1-yl)propyl]acetamide
C534-0155 Screening compound: 2-[6-(diethylsulfamoyl)-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-4-yl]-N-[3-(3,5-dimethylpiperidin-1-yl)propyl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C534-0155
2-[6-(diethylsulfamoyl)-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-4-yl]-N-[3-(3,5-dimethylpiperidin-1-yl)propyl]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

C534-0155

Molecular Formula

C24H38N4O5S (C24 H38 N4 O5 S)

Compound Name

2-[6-(diethylsulfamoyl)-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-4-yl]-N-[3-(3,5-dimethylpiperidin-1-yl)propyl]acetamide

IUPAC name

2-[6-(diethylsulfamoyl)-3-oxo-34-dihydro-2H-14-benzoxazin-4-yl]-N-[3-(35-dimethylpiperidin-1-yl)propyl]acetamide

SMILES

CCN(CC)S(c(cc1)cc(N2CC(NCCCN3CC(C)CC(C)C3)=O)c1OCC2=O)(=O)=O

InChI

InChI=1S/C24H38N4O5S/c1-5-27(6-2)34(31,32)20-8-9-22-21(13-20)28(24(30)17-33-22)16-23(29)25-10-7-11-26-14-18(3)12-19(4)15-26/h8-9,13,18-19H,5-7,10-12,14-17H2,1-4H3,(H,25,29)

InChI Key

GJOPSIXMVAPZAN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14768436

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

494.66

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

1.963

Distribution Coefficient, logD

-0.642

Water Solubility, LogSw

-2.89

Polar Surface Area

83.327

Acid Dissociation Constant (pKa)

15.51

Base Dissociation Constant (pKb)

10.00

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

66.70

C534-0155 in Drug Discovery

Included in Screening Libraries

Dark Chemical Matter Library (18430 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool

References: we are preparing a list of scientific research reports with C534-0155 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C534-0155?
Check Price and Availability of C534-0155, 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 C534-0155 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C534-0155
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C534-0155
  • 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 C534-0155 available by request