5328-0027 Screening compound: 5-[(E)-[(carbamothioylamino)imino]methyl]-4-(35-dimethyl-1lambda5-pyridin-1-ylium-1-yl)-2-oxo-23-dihydro-13-thiazol-3-ide

5328-0027 Screening compound: 5-[(E)-[(carbamothioylamino)imino]methyl]-4-(35-dimethyl-1lambda5-pyridin-1-ylium-1-yl)-2-oxo-23-dihydro-13-thiazol-3-ide
5328-0027 Screening compound: 5-[(E)-[(carbamothioylamino)imino]methyl]-4-(35-dimethyl-1lambda5-pyridin-1-ylium-1-yl)-2-oxo-23-dihydro-13-thiazol-3-ide alternative view

Chemical Structure Depiction of ChemDiv screening compound 5328-0027
5-[(E)-[(carbamothioylamino)imino]methyl]-4-(35-dimethyl-1lambda5-pyridin-1-ylium-1-yl)-2-oxo-23-dihydro-13-thiazol-3-ide

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

5328-0027

Molecular Formula

C12H13N5OS2 (C12 H13 N5 OS2)

Compound Name

5-[(E)-[(carbamothioylamino)imino]methyl]-4-(35-dimethyl-1lambda5-pyridin-1-ylium-1-yl)-2-oxo-23-dihydro-13-thiazol-3-ide

IUPAC name

5-[(E)-[(carbamothioylamino)imino]methyl]-4-(35-dimethyl-1lambda5-pyridin-1-ylium-1-yl)-2-oxo-23-dihydro-13-thiazol-3-ide

SMILES

Cc1c[n+](C([N-]2)=C(/C=N/NC(N)=S)SC2=O)cc(C)c1

InChI

InChI=1S/C12H13N5OS2/c1-7-3-8(2)6-17(5-7)10-9(20-12(18)15-10)4-14-16-11(13)19/h3-6H,1-2H3,(H3-,13,14,15,16,18,19)

InChI Key

PWPSDEPXHIBYJL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00785064

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

307.4

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.678

Distribution Coefficient, logD

2.678

Water Solubility, LogSw

-2.95

Polar Surface Area

69.043

Acid Dissociation Constant (pKa)

11.37

Base Dissociation Constant (pKb)

-3.69

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.70

References: we are preparing a list of scientific research reports with 5328-0027 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5328-0027?
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What is the minimum amount of 5328-0027 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5328-0027
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5328-0027
  • 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 5328-0027 available by request