6582-0210 Screening compound: 3-{2-[(5-methyl-2-oxooxolan-3-yl)methyl]propanoyl}-1-(4-sulfamoylphenyl)thiourea

6582-0210 Screening compound: 3-{2-[(5-methyl-2-oxooxolan-3-yl)methyl]propanoyl}-1-(4-sulfamoylphenyl)thiourea
6582-0210 Screening compound: 3-{2-[(5-methyl-2-oxooxolan-3-yl)methyl]propanoyl}-1-(4-sulfamoylphenyl)thiourea alternative view

Chemical Structure Depiction of ChemDiv screening compound 6582-0210
3-{2-[(5-methyl-2-oxooxolan-3-yl)methyl]propanoyl}-1-(4-sulfamoylphenyl)thiourea

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

6582-0210

Molecular Formula

C16H21N3O5S2 (C16 H21 N3 O5 S2)

Compound Name

3-{2-[(5-methyl-2-oxooxolan-3-yl)methyl]propanoyl}-1-(4-sulfamoylphenyl)thiourea

IUPAC name

3-{2-[(5-methyl-2-oxooxolan-3-yl)methyl]propanoyl}-1-(4-sulfamoylphenyl)thiourea

SMILES

CC(CC(CC(C)O1)C1=O)C(NC(Nc(cc1)ccc1S(N)(=O)=O)=S)=O

InChI

InChI=1S/C16H21N3O5S2/c1-9(7-11-8-10(2)24-15(11)21)14(20)19-16(25)18-12-3-5-13(6-4-12)26(17,22)23/h3-6,9-11H,7-8H2,1-2H3,(H2,17,22,23)(H2,18,19,20,25)

InChI Key

CCUFYWOGZYSXSY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14711788

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

399.49

Hydrogen Bond Acceptors Count

12.00

Hydrogen Bond Donors Count

4.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

1.146

Distribution Coefficient, logD

1.137

Water Solubility, LogSw

-1.95

Polar Surface Area

105.353

Acid Dissociation Constant (pKa)

9.09

Base Dissociation Constant (pKb)

-4.04

Number of Chiral Centers

3.00

Percent sp3 carbon bonding

43.80

6582-0210 in Drug Discovery

Included in Screening Libraries

Antiviral Annotated Library (21441 compounds)

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

Carbonic Anhydrase II Library (4939 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

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

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • Phosphatases

References: we are preparing a list of scientific research reports with 6582-0210 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6582-0210?
Check Price and Availability of 6582-0210, 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 6582-0210 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6582-0210
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6582-0210
  • 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 6582-0210 available by request