8008-8910 Screening compound: (NZ)-3-butyl-5,5-dimethyl-N-{[4-(methylsulfamoyl)phenyl]methylidene}-N-oxido-2-sulfanylidene-1,3-thiazolidin-4-aminium

8008-8910 Screening compound: (NZ)-3-butyl-5,5-dimethyl-N-{[4-(methylsulfamoyl)phenyl]methylidene}-N-oxido-2-sulfanylidene-1,3-thiazolidin-4-aminium
8008-8910 Screening compound: (NZ)-3-butyl-5,5-dimethyl-N-{[4-(methylsulfamoyl)phenyl]methylidene}-N-oxido-2-sulfanylidene-1,3-thiazolidin-4-aminium alternative view

Chemical Structure Depiction of ChemDiv screening compound 8008-8910
(NZ)-3-butyl-5,5-dimethyl-N-{[4-(methylsulfamoyl)phenyl]methylidene}-N-oxido-2-sulfanylidene-1,3-thiazolidin-4-aminium

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

8008-8910

Molecular Formula

C17H25N3O3S3 (C17 H25 N3 O3 S3)

Compound Name

(NZ)-3-butyl-5,5-dimethyl-N-{[4-(methylsulfamoyl)phenyl]methylidene}-N-oxido-2-sulfanylidene-1,3-thiazolidin-4-aminium

IUPAC name

(NZ)-3-butyl-55-dimethyl-N-{[4-(methylsulfamoyl)phenyl]methylidene}-N-oxido-2-sulfanylidene-13-thiazolidin-4-aminium

SMILES

CCCCN(C(C(C)(C)S1)/[N+](/[O-])=C/c(cc2)ccc2S(NC)(=O)=O)C1=S

InChI

InChI=1S/C17H25N3O3S3/c1-5-6-11-19-15(17(2,3)25-16(19)24)20(21)12-13-7-9-14(10-8-13)26(22,23)18-4/h7-10,12,15,18H,5-6,11H2,1-4H3/t15-/m0/s1

InChI Key

VOLWGGFXFAQMNC-HNNXBMFYSA-N

MDL Number (MFCD)

MFCD01460276

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

415.6

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.831

Distribution Coefficient, logD

3.831

Water Solubility, LogSw

-3.89

Polar Surface Area

63.177

Acid Dissociation Constant (pKa)

11.39

Base Dissociation Constant (pKb)

-4.78

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

52.90

8008-8910 in Drug Discovery

Included in Screening Libraries

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Covalent Inhibitors Library (7986 compounds)

Included in 1.7M Stock Database

Structure:
  • Cyclic compounds
  • 3D
  • Fragments

References: we are preparing a list of scientific research reports with 8008-8910 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8008-8910?
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What is the minimum amount of 8008-8910 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8008-8910
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8008-8910
  • 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 8008-8910 available by request