5577-0032 Screening compound: 1-(5-{[(E)-2-(aminocarbothioyl)hydrazono]methyl}-3-methyl-2-oxo-2,3-dihydro-1,3-thiazol-4-yl)pyridinium

5577-0032 Screening compound: 1-(5-{[(E)-2-(aminocarbothioyl)hydrazono]methyl}-3-methyl-2-oxo-2,3-dihydro-1,3-thiazol-4-yl)pyridinium
5577-0032 Screening compound: 1-(5-{[(E)-2-(aminocarbothioyl)hydrazono]methyl}-3-methyl-2-oxo-2,3-dihydro-1,3-thiazol-4-yl)pyridinium alternative view

Chemical Structure Depiction of ChemDiv screening compound 5577-0032
1-(5-{[(E)-2-(aminocarbothioyl)hydrazono]methyl}-3-methyl-2-oxo-2,3-dihydro-1,3-thiazol-4-yl)pyridinium

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

5577-0032

Molecular Formula

C11H12N5OS2 (C11 H12 N5 OS2)

Compound Name

1-(5-{[(E)-2-(aminocarbothioyl)hydrazono]methyl}-3-methyl-2-oxo-2,3-dihydro-1,3-thiazol-4-yl)pyridinium

IUPAC name

1-{5-[(E)-[(carbamothioylamino)imino]methyl]-3-methyl-2-oxo-23-dihydro-13-thiazol-4-yl}-1lambda5-pyridin-1-ylium

SMILES

CN(C([n+]1ccccc1)=C(/C=N/NC(N)=S)S1)C1=O

InChI

InChI=1S/C11H11N5OS2/c1-15-9(16-5-3-2-4-6-16)8(19-11(15)17)7-13-14-10(12)18/h2-7H,1H3,(H2-,12,14,18)/p+1

InChI Key

PZJCXCXWDKZBGV-UHFFFAOYSA-O

MDL Number (MFCD)

MFCD03544974

Chemical and Physical Properties

Saltdata

I-

Molecular Weight

294.38

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

1.850

Distribution Coefficient, logD

1.850

Water Solubility, LogSw

-2.35

Polar Surface Area

61.883

Acid Dissociation Constant (pKa)

11.97

Base Dissociation Constant (pKb)

-3.26

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

9.10

References: we are preparing a list of scientific research reports with 5577-0032 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5577-0032?
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What is the minimum amount of 5577-0032 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5577-0032
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5577-0032
  • 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 5577-0032 available by request