C534-0564 Screening compound: N-[2-(4-ethoxyphenyl)ethyl]-2-[3-oxo-6-(pyrrolidine-1-sulfonyl)-3,4-dihydro-2H-1,4-benzoxazin-4-yl]acetamide

C534-0564 Screening compound: N-[2-(4-ethoxyphenyl)ethyl]-2-[3-oxo-6-(pyrrolidine-1-sulfonyl)-3,4-dihydro-2H-1,4-benzoxazin-4-yl]acetamide
C534-0564 Screening compound: N-[2-(4-ethoxyphenyl)ethyl]-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 C534-0564
N-[2-(4-ethoxyphenyl)ethyl]-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

C534-0564

Molecular Formula

C24H29N3O6S (C24 H29 N3 O6 S)

Compound Name

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

IUPAC name

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

SMILES

CCOc1ccc(CCNC(CN2c(cc(cc3)S(N4CCCC4)(=O)=O)c3OCC2=O)=O)cc1

InChI

InChI=1S/C24H29N3O6S/c1-2-32-19-7-5-18(6-8-19)11-12-25-23(28)16-27-21-15-20(9-10-22(21)33-17-24(27)29)34(30,31)26-13-3-4-14-26/h5-10,15H,2-4,11-14,16-17H2,1H3,(H,25,28)

InChI Key

PKLUWTIICHFWLV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14768527

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

487.58

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

1.966

Distribution Coefficient, logD

1.966

Water Solubility, LogSw

-2.92

Polar Surface Area

87.582

Acid Dissociation Constant (pKa)

14.37

Base Dissociation Constant (pKb)

3.15

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

41.70

C534-0564 in Drug Discovery

Included in Screening Libraries

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with C534-0564 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C534-0564?
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What is the minimum amount of C534-0564 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C534-0564
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C534-0564
  • 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 C534-0564 available by request