C534-0200 Screening compound: N,N-diethyl-3-oxo-4-[2-oxo-2-(4-propylpiperazin-1-yl)ethyl]-3,4-dihydro-2H-1,4-benzoxazine-6-sulfonamide

C534-0200 Screening compound: N,N-diethyl-3-oxo-4-[2-oxo-2-(4-propylpiperazin-1-yl)ethyl]-3,4-dihydro-2H-1,4-benzoxazine-6-sulfonamide
C534-0200 Screening compound: N,N-diethyl-3-oxo-4-[2-oxo-2-(4-propylpiperazin-1-yl)ethyl]-3,4-dihydro-2H-1,4-benzoxazine-6-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C534-0200
N,N-diethyl-3-oxo-4-[2-oxo-2-(4-propylpiperazin-1-yl)ethyl]-3,4-dihydro-2H-1,4-benzoxazine-6-sulfonamide

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

C534-0200

Molecular Formula

C21H32N4O5S (C21 H32 N4 O5 S)

Compound Name

N,N-diethyl-3-oxo-4-[2-oxo-2-(4-propylpiperazin-1-yl)ethyl]-3,4-dihydro-2H-1,4-benzoxazine-6-sulfonamide

IUPAC name

NN-diethyl-3-oxo-4-[2-oxo-2-(4-propylpiperazin-1-yl)ethyl]-34-dihydro-2H-14-benzoxazine-6-sulfonamide

SMILES

CCCN(CC1)CCN1C(CN1c(cc(cc2)S(N(CC)CC)(=O)=O)c2OCC1=O)=O

InChI

InChI=1S/C21H32N4O5S/c1-4-9-22-10-12-23(13-11-22)20(26)15-25-18-14-17(31(28,29)24(5-2)6-3)7-8-19(18)30-16-21(25)27/h7-8,14H,4-6,9-13,15-16H2,1-3H3

InChI Key

XEFKSHOLSCVIEM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14768454

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

452.58

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

0.960

Distribution Coefficient, logD

0.778

Water Solubility, LogSw

-2.43

Polar Surface Area

75.348

Acid Dissociation Constant (pKa)

20.50

Base Dissociation Constant (pKb)

7.12

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

61.90

C534-0200 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

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

Dark Chemical Matter Library (18430 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 C534-0200 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C534-0200?
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What is the minimum amount of C534-0200 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C534-0200
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C534-0200
  • 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 C534-0200 available by request