C534-0492 Screening compound: 2-[3-oxo-6-(pyrrolidine-1-sulfonyl)-3,4-dihydro-2H-1,4-benzoxazin-4-yl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide

C534-0492 Screening compound: 2-[3-oxo-6-(pyrrolidine-1-sulfonyl)-3,4-dihydro-2H-1,4-benzoxazin-4-yl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide
C534-0492 Screening compound: 2-[3-oxo-6-(pyrrolidine-1-sulfonyl)-3,4-dihydro-2H-1,4-benzoxazin-4-yl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C534-0492
2-[3-oxo-6-(pyrrolidine-1-sulfonyl)-3,4-dihydro-2H-1,4-benzoxazin-4-yl]-N-(1,2,3,4-tetrahydronaphthalen-1-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

C534-0492

Molecular Formula

C24H27N3O5S (C24 H27 N3 O5 S)

Compound Name

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

IUPAC name

2-[3-oxo-6-(pyrrolidine-1-sulfonyl)-34-dihydro-2H-14-benzoxazin-4-yl]-N-(1234-tetrahydronaphthalen-1-yl)acetamide

SMILES

O=C(CN1c(cc(cc2)S(N3CCCC3)(=O)=O)c2OCC1=O)NC(CCC1)c2c1cccc2

InChI

InChI=1S/C24H27N3O5S/c28-23(25-20-9-5-7-17-6-1-2-8-19(17)20)15-27-21-14-18(10-11-22(21)32-16-24(27)29)33(30,31)26-12-3-4-13-26/h1-2,6,8,10-11,14,20H,3-5,7,9,12-13,15-16H2,(H,25,28)/t20-/m0/s1

InChI Key

JQEUIJPMYXKXRX-FQEVSTJZSA-N

MDL Number (MFCD)

MFCD14768516

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

469.56

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.776

Distribution Coefficient, logD

2.776

Water Solubility, LogSw

-3.57

Polar Surface Area

80.460

Acid Dissociation Constant (pKa)

12.01

Base Dissociation Constant (pKb)

-0.93

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

41.70

C534-0492 in Drug Discovery

Included in Screening Libraries

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

GPCR Targeted Library (31838 compounds)

Protein Arginine Methyltransferases Library (27925 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
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Metabolic
Targets:
  • GPCR
  • Others
Mechanism of action:
  • Receptor's ligands
  • Epigenetic

References: we are preparing a list of scientific research reports with C534-0492 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C534-0492?
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What is the minimum amount of C534-0492 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C534-0492
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C534-0492
  • 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 C534-0492 available by request