0865-0072 Screening compound: 4-(3-methyl-1lambda5-pyridin-1-ylium-1-yl)-2-oxo-5-[(E)-{[(pyridin-4-yl)formamido]imino}methyl]-23-dihydro-13-thiazol-3-ide

0865-0072 Screening compound: 4-(3-methyl-1lambda5-pyridin-1-ylium-1-yl)-2-oxo-5-[(E)-{[(pyridin-4-yl)formamido]imino}methyl]-23-dihydro-13-thiazol-3-ide
0865-0072 Screening compound: 4-(3-methyl-1lambda5-pyridin-1-ylium-1-yl)-2-oxo-5-[(E)-{[(pyridin-4-yl)formamido]imino}methyl]-23-dihydro-13-thiazol-3-ide alternative view

Chemical Structure Depiction of ChemDiv screening compound 0865-0072
4-(3-methyl-1lambda5-pyridin-1-ylium-1-yl)-2-oxo-5-[(E)-{[(pyridin-4-yl)formamido]imino}methyl]-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

0865-0072

Molecular Formula

C16H13N5O2S (C16 H13 N5 O2 S)

Compound Name

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

IUPAC name

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

SMILES

Cc1ccc[n+](C([N-]2)=C(/C=N/NC(c3ccncc3)=O)SC2=O)c1

InChI

InChI=1S/C16H13N5O2S/c1-11-3-2-8-21(10-11)14-13(24-16(23)19-14)9-18-20-15(22)12-4-6-17-7-5-12/h2-10H,1H3,(H-,17,18,19,20,22,23)

InChI Key

JGUQCTZJSRMODW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00779113

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

339.38

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.916

Distribution Coefficient, logD

1.504

Water Solubility, LogSw

-2.05

Polar Surface Area

72.086

Acid Dissociation Constant (pKa)

7.20

Base Dissociation Constant (pKb)

3.64

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

6.30

References: we are preparing a list of scientific research reports with 0865-0072 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0865-0072?
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What is the minimum amount of 0865-0072 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0865-0072
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0865-0072
  • 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 0865-0072 available by request