C534-0174 Screening compound: 2-[6-(diethylsulfamoyl)-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-4-yl]-N-{2-[4-(methylsulfanyl)phenyl]ethyl}acetamide

C534-0174 Screening compound: 2-[6-(diethylsulfamoyl)-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-4-yl]-N-{2-[4-(methylsulfanyl)phenyl]ethyl}acetamide
C534-0174 Screening compound: 2-[6-(diethylsulfamoyl)-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-4-yl]-N-{2-[4-(methylsulfanyl)phenyl]ethyl}acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C534-0174
2-[6-(diethylsulfamoyl)-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-4-yl]-N-{2-[4-(methylsulfanyl)phenyl]ethyl}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

C534-0174

Molecular Formula

C23H29N3O5S2 (C23 H29 N3 O5 S2)

Compound Name

2-[6-(diethylsulfamoyl)-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-4-yl]-N-{2-[4-(methylsulfanyl)phenyl]ethyl}acetamide

IUPAC name

2-[6-(diethylsulfamoyl)-3-oxo-34-dihydro-2H-14-benzoxazin-4-yl]-N-{2-[4-(methylsulfanyl)phenyl]ethyl}acetamide

SMILES

CCN(CC)S(c(cc1)cc(N2CC(NCCc(cc3)ccc3SC)=O)c1OCC2=O)(=O)=O

InChI

InChI=1S/C23H29N3O5S2/c1-4-25(5-2)33(29,30)19-10-11-21-20(14-19)26(23(28)16-31-21)15-22(27)24-13-12-17-6-8-18(32-3)9-7-17/h6-11,14H,4-5,12-13,15-16H2,1-3H3,(H,24,27)

InChI Key

XHPFGQNVGJYXKW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14768443

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

491.63

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.473

Distribution Coefficient, logD

2.473

Water Solubility, LogSw

-2.95

Polar Surface Area

79.478

Acid Dissociation Constant (pKa)

14.37

Base Dissociation Constant (pKb)

3.15

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

39.10

References: we are preparing a list of scientific research reports with C534-0174 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C534-0174?
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What is the minimum amount of C534-0174 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C534-0174
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C534-0174
  • 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 C534-0174 available by request