3347-7318 Screening compound: 4-(34-dimethyl-1lambda5-pyridin-1-ylium-1-yl)-5-[(E)-{[(2-hydroxyphenyl)formamido]imino}methyl]-2-oxo-23-dihydro-13-thiazol-3-ide

3347-7318 Screening compound: 4-(34-dimethyl-1lambda5-pyridin-1-ylium-1-yl)-5-[(E)-{[(2-hydroxyphenyl)formamido]imino}methyl]-2-oxo-23-dihydro-13-thiazol-3-ide
3347-7318 Screening compound: 4-(34-dimethyl-1lambda5-pyridin-1-ylium-1-yl)-5-[(E)-{[(2-hydroxyphenyl)formamido]imino}methyl]-2-oxo-23-dihydro-13-thiazol-3-ide alternative view

Chemical Structure Depiction of ChemDiv screening compound 3347-7318
4-(34-dimethyl-1lambda5-pyridin-1-ylium-1-yl)-5-[(E)-{[(2-hydroxyphenyl)formamido]imino}methyl]-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

3347-7318

Molecular Formula

C18H16N4O3S (C18 H16 N4 O3 S)

Compound Name

4-(34-dimethyl-1lambda5-pyridin-1-ylium-1-yl)-5-[(E)-{[(2-hydroxyphenyl)formamido]imino}methyl]-2-oxo-23-dihydro-13-thiazol-3-ide

IUPAC name

4-(34-dimethyl-1lambda5-pyridin-1-ylium-1-yl)-5-[(E)-{[(2-hydroxyphenyl)formamido]imino}methyl]-2-oxo-23-dihydro-13-thiazol-3-ide

SMILES

Cc(cc1)c(C)c[n+]1C([N-]1)=C(/C=N/NC(c(cccc2)c2O)=O)SC1=O

InChI

InChI=1S/C18H16N4O3S/c1-11-7-8-22(10-12(11)2)16-15(26-18(25)20-16)9-19-21-17(24)13-5-3-4-6-14(13)23/h3-10H,1-2H3,(H2-,19,20,21,23,24,25)

InChI Key

CFNMAVLTANNOAS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00785092

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

368.42

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.756

Distribution Coefficient, logD

3.333

Water Solubility, LogSw

-3.15

Polar Surface Area

79.206

Acid Dissociation Constant (pKa)

7.18

Base Dissociation Constant (pKb)

-4.91

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

11.10

3347-7318 in Drug Discovery

Included in Screening Libraries

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 3347-7318 chemical compound. It will be published here after verification.

Frequently Asked Questions

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What is the minimum amount of 3347-7318 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3347-7318
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3347-7318
  • 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 3347-7318 available by request