C517-5484 Screening compound: N-{3-[4-(4-methoxyphenyl)piperazin-1-yl]propyl}-3-methyl-2-oxo-2,3-dihydro-1,3-benzoxazole-6-sulfonamide

C517-5484 Screening compound: N-{3-[4-(4-methoxyphenyl)piperazin-1-yl]propyl}-3-methyl-2-oxo-2,3-dihydro-1,3-benzoxazole-6-sulfonamide
C517-5484 Screening compound: N-{3-[4-(4-methoxyphenyl)piperazin-1-yl]propyl}-3-methyl-2-oxo-2,3-dihydro-1,3-benzoxazole-6-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C517-5484
N-{3-[4-(4-methoxyphenyl)piperazin-1-yl]propyl}-3-methyl-2-oxo-2,3-dihydro-1,3-benzoxazole-6-sulfonamide

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

C517-5484

Molecular Formula

C22H28N4O5S (C22 H28 N4 O5 S)

Compound Name

N-{3-[4-(4-methoxyphenyl)piperazin-1-yl]propyl}-3-methyl-2-oxo-2,3-dihydro-1,3-benzoxazole-6-sulfonamide

IUPAC name

N-{3-[4-(4-methoxyphenyl)piperazin-1-yl]propyl}-3-methyl-2-oxo-23-dihydro-13-benzoxazole-6-sulfonamide

SMILES

CN(c(ccc(S(NCCCN(CC1)CCN1c(cc1)ccc1OC)(=O)=O)c1)c1O1)C1=O

InChI

InChI=1S/C22H28N4O5S/c1-24-20-9-8-19(16-21(20)31-22(24)27)32(28,29)23-10-3-11-25-12-14-26(15-13-25)17-4-6-18(30-2)7-5-17/h4-9,16,23H,3,10-15H2,1-2H3

InChI Key

WOLWGNMJDXDABB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06597504

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

460.55

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

2.309

Distribution Coefficient, logD

2.016

Water Solubility, LogSw

-3.11

Polar Surface Area

79.491

Acid Dissociation Constant (pKa)

11.16

Base Dissociation Constant (pKb)

7.38

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

40.90

C517-5484 in Drug Discovery

Included in Screening Libraries

Dark Chemical Matter Library (18430 compounds)

Aurora A-B Kinases Targeted Library (9426 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool
Therapeutical areas:
  • Cancer
  • Digestive system
  • Male
  • Female
  • Hemic and lymphatic
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with C517-5484 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C517-5484?
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What is the minimum amount of C517-5484 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C517-5484
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C517-5484
  • 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 C517-5484 available by request