C517-4972 Screening compound: N-(3,5-dimethylphenyl)-N-{2-[4-(3-methoxyphenyl)piperazin-1-yl]-2-oxoethyl}-3,5-dimethyl-1,2-oxazole-4-sulfonamide

C517-4972 Screening compound: N-(3,5-dimethylphenyl)-N-{2-[4-(3-methoxyphenyl)piperazin-1-yl]-2-oxoethyl}-3,5-dimethyl-1,2-oxazole-4-sulfonamide
C517-4972 Screening compound: N-(3,5-dimethylphenyl)-N-{2-[4-(3-methoxyphenyl)piperazin-1-yl]-2-oxoethyl}-3,5-dimethyl-1,2-oxazole-4-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C517-4972
N-(3,5-dimethylphenyl)-N-{2-[4-(3-methoxyphenyl)piperazin-1-yl]-2-oxoethyl}-3,5-dimethyl-1,2-oxazole-4-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

C517-4972

Molecular Formula

C26H32N4O5S (C26 H32 N4 O5 S)

Compound Name

N-(3,5-dimethylphenyl)-N-{2-[4-(3-methoxyphenyl)piperazin-1-yl]-2-oxoethyl}-3,5-dimethyl-1,2-oxazole-4-sulfonamide

IUPAC name

N-(35-dimethylphenyl)-N-{2-[4-(3-methoxyphenyl)piperazin-1-yl]-2-oxoethyl}-35-dimethyl-12-oxazole-4-sulfonamide

SMILES

Cc1noc(C)c1S(N(CC(N(CC1)CCN1c1cc(OC)ccc1)=O)c1cc(C)cc(C)c1)(=O)=O

InChI

InChI=1S/C26H32N4O5S/c1-18-13-19(2)15-23(14-18)30(36(32,33)26-20(3)27-35-21(26)4)17-25(31)29-11-9-28(10-12-29)22-7-6-8-24(16-22)34-5/h6-8,13-16H,9-12,17H2,1-5H3

InChI Key

NVIAWYHGYPKGKU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14764100

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

512.63

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

3.474

Distribution Coefficient, logD

3.474

Water Solubility, LogSw

-3.79

Polar Surface Area

81.027

Acid Dissociation Constant (pKa)

21.05

Base Dissociation Constant (pKb)

3.68

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

38.50

C517-4972 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

CNS targets activity set (6557 compounds)

Dark Chemical Matter Library (18430 compounds)

Protein-Protein Interaction Library (218420 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Chemokine Receptor-Targeted Library (18382 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
  • Pool
Mechanism of action:
  • PPI modulators
  • Receptor's ligands
Therapeutical areas:
  • Immune system

References: we are preparing a list of scientific research reports with C517-4972 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C517-4972?
Check Price and Availability of C517-4972, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of C517-4972 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C517-4972
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C517-4972
  • 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 C517-4972 available by request