C534-0182 Screening compound: ethyl 4-{2-[6-(diethylsulfamoyl)-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-4-yl]acetyl}piperazine-1-carboxylate

C534-0182 Screening compound: ethyl 4-{2-[6-(diethylsulfamoyl)-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-4-yl]acetyl}piperazine-1-carboxylate
C534-0182 Screening compound: ethyl 4-{2-[6-(diethylsulfamoyl)-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-4-yl]acetyl}piperazine-1-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound C534-0182
ethyl 4-{2-[6-(diethylsulfamoyl)-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-4-yl]acetyl}piperazine-1-carboxylate

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

C534-0182

Molecular Formula

C21H30N4O7S (C21 H30 N4 O7 S)

Compound Name

ethyl 4-{2-[6-(diethylsulfamoyl)-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-4-yl]acetyl}piperazine-1-carboxylate

IUPAC name

ethyl 4-{2-[6-(diethylsulfamoyl)-3-oxo-34-dihydro-2H-14-benzoxazin-4-yl]acetyl}piperazine-1-carboxylate

SMILES

CCN(CC)S(c(cc1)cc(N2CC(N(CC3)CCN3C(OCC)=O)=O)c1OCC2=O)(=O)=O

InChI

InChI=1S/C21H30N4O7S/c1-4-24(5-2)33(29,30)16-7-8-18-17(13-16)25(20(27)15-32-18)14-19(26)22-9-11-23(12-10-22)21(28)31-6-3/h7-8,13H,4-6,9-12,14-15H2,1-3H3

InChI Key

LCRXWINUJZPSHB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14768445

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

482.56

Hydrogen Bond Acceptors Count

13.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

11

Partition Coefficient, logP

0.868

Distribution Coefficient, logD

0.868

Water Solubility, LogSw

-2.40

Polar Surface Area

94.337

Acid Dissociation Constant (pKa)

20.50

Base Dissociation Constant (pKb)

2.42

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

57.10

References: we are preparing a list of scientific research reports with C534-0182 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C534-0182?
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What is the minimum amount of C534-0182 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C534-0182
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C534-0182
  • 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 C534-0182 available by request