C534-0356 Screening compound: N-{2-[cyclohexyl(methyl)amino]ethyl}-2-[6-(morpholine-4-sulfonyl)-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-4-yl]acetamide

C534-0356 Screening compound: N-{2-[cyclohexyl(methyl)amino]ethyl}-2-[6-(morpholine-4-sulfonyl)-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-4-yl]acetamide
C534-0356 Screening compound: N-{2-[cyclohexyl(methyl)amino]ethyl}-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 C534-0356
N-{2-[cyclohexyl(methyl)amino]ethyl}-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

C534-0356

Molecular Formula

C23H34N4O6S (C23 H34 N4 O6 S)

Compound Name

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

IUPAC name

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

SMILES

CN(CCNC(CN1c(cc(cc2)S(N3CCOCC3)(=O)=O)c2OCC1=O)=O)C1CCCCC1

InChI

InChI=1S/C23H34N4O6S/c1-25(18-5-3-2-4-6-18)10-9-24-22(28)16-27-20-15-19(7-8-21(20)33-17-23(27)29)34(30,31)26-11-13-32-14-12-26/h7-8,15,18H,2-6,9-14,16-17H2,1H3,(H,24,28)

InChI Key

VBHCGVSSYXIJDN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14768493

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

494.61

Hydrogen Bond Acceptors Count

12.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

0.925

Distribution Coefficient, logD

-0.516

Water Solubility, LogSw

-2.51

Polar Surface Area

91.038

Acid Dissociation Constant (pKa)

13.79

Base Dissociation Constant (pKb)

8.83

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

65.20

C534-0356 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

GPCR Targeted Library (31838 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with C534-0356 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C534-0356?
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What is the minimum amount of C534-0356 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C534-0356
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C534-0356
  • 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 C534-0356 available by request