C534-0546 Screening compound: N-[3-(3,5-dimethylpiperidin-1-yl)propyl]-2-[3-oxo-6-(pyrrolidine-1-sulfonyl)-3,4-dihydro-2H-1,4-benzoxazin-4-yl]acetamide

C534-0546 Screening compound: N-[3-(3,5-dimethylpiperidin-1-yl)propyl]-2-[3-oxo-6-(pyrrolidine-1-sulfonyl)-3,4-dihydro-2H-1,4-benzoxazin-4-yl]acetamide
C534-0546 Screening compound: N-[3-(3,5-dimethylpiperidin-1-yl)propyl]-2-[3-oxo-6-(pyrrolidine-1-sulfonyl)-3,4-dihydro-2H-1,4-benzoxazin-4-yl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C534-0546
N-[3-(3,5-dimethylpiperidin-1-yl)propyl]-2-[3-oxo-6-(pyrrolidine-1-sulfonyl)-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

C534-0546

Molecular Formula

C24H36N4O5S (C24 H36 N4 O5 S)

Compound Name

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

IUPAC name

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

SMILES

CC1CN(CCCNC(CN2c(cc(cc3)S(N4CCCC4)(=O)=O)c3OCC2=O)=O)CC(C)C1

InChI

InChI=1S/C24H36N4O5S/c1-18-12-19(2)15-26(14-18)9-5-8-25-23(29)16-28-21-13-20(6-7-22(21)33-17-24(28)30)34(31,32)27-10-3-4-11-27/h6-7,13,18-19H,3-5,8-12,14-17H2,1-2H3,(H,25,29)

InChI Key

HVCSYSQDWVLKND-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14768522

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

492.64

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

1.805

Distribution Coefficient, logD

-0.800

Water Solubility, LogSw

-2.76

Polar Surface Area

84.308

Acid Dissociation Constant (pKa)

15.51

Base Dissociation Constant (pKb)

10.00

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

66.70

C534-0546 in Drug Discovery

Included in Screening Libraries

GPCR Targeted Library (31838 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • 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 C534-0546 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C534-0546?
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What is the minimum amount of C534-0546 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C534-0546
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C534-0546
  • 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 C534-0546 available by request