6040-4954 Screening compound: 5-methyl-3-phenyl-N-{4-[(2-phenylethyl)sulfamoyl]phenyl}-1,2-oxazole-4-carboxamide

6040-4954 Screening compound: 5-methyl-3-phenyl-N-{4-[(2-phenylethyl)sulfamoyl]phenyl}-1,2-oxazole-4-carboxamide
6040-4954 Screening compound: 5-methyl-3-phenyl-N-{4-[(2-phenylethyl)sulfamoyl]phenyl}-1,2-oxazole-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 6040-4954
5-methyl-3-phenyl-N-{4-[(2-phenylethyl)sulfamoyl]phenyl}-1,2-oxazole-4-carboxamide

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

6040-4954

Molecular Formula

C25H23N3O4S (C25 H23 N3 O4 S)

Compound Name

5-methyl-3-phenyl-N-{4-[(2-phenylethyl)sulfamoyl]phenyl}-1,2-oxazole-4-carboxamide

IUPAC name

5-methyl-3-phenyl-N-{4-[(2-phenylethyl)sulfamoyl]phenyl}-12-oxazole-4-carboxamide

SMILES

Cc1c(C(Nc(cc2)ccc2S(NCCc2ccccc2)(=O)=O)=O)c(-c2ccccc2)no1

InChI

InChI=1S/C25H23N3O4S/c1-18-23(24(28-32-18)20-10-6-3-7-11-20)25(29)27-21-12-14-22(15-13-21)33(30,31)26-17-16-19-8-4-2-5-9-19/h2-15,26H,16-17H2,1H3,(H,27,29)

InChI Key

GOUVJVGZWSGSPO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03640131

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

461.54

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.176

Distribution Coefficient, logD

4.173

Water Solubility, LogSw

-4.44

Polar Surface Area

86.890

Acid Dissociation Constant (pKa)

9.56

Base Dissociation Constant (pKb)

-3.09

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

12.00

6040-4954 in Drug Discovery

Included in Screening Libraries

Antimitotic Tubulin Library (17355 compounds)

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

Protein Arginine Methyltransferases Library (27925 compounds)

Serine Proteases Inhibitors Library (32732 compounds)

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Metabolic
  • Infections
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Cardiovascular
  • Skin
  • Metabolic
  • Immune system
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • Others
  • Proteases
  • Phosphatases
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with 6040-4954 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6040-4954?
Check Price and Availability of 6040-4954, 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 6040-4954 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6040-4954
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6040-4954
  • 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 6040-4954 available by request