5577-0019 Screening compound: 4-(2lambda5-isoquinolin-2-ylium-2-yl)-2-oxo-5-[(E)-{[(pyridin-4-yl)formamido]imino}methyl]-23-dihydro-13-thiazol-3-ide

5577-0019 Screening compound: 4-(2lambda5-isoquinolin-2-ylium-2-yl)-2-oxo-5-[(E)-{[(pyridin-4-yl)formamido]imino}methyl]-23-dihydro-13-thiazol-3-ide
5577-0019 Screening compound: 4-(2lambda5-isoquinolin-2-ylium-2-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 5577-0019
4-(2lambda5-isoquinolin-2-ylium-2-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

5577-0019

Molecular Formula

C19H13N5O2S (C19 H13 N5 O2 S)

Compound Name

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

IUPAC name

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

SMILES

O=C(c1ccncc1)N/N=C/C(SC([N-]1)=O)=C1[n+]1cc2ccccc2cc1

InChI

InChI=1S/C19H13N5O2S/c25-18(14-5-8-20-9-6-14)23-21-11-16-17(22-19(26)27-16)24-10-7-13-3-1-2-4-15(13)12-24/h1-12H,(H-,20,21,22,23,25,26)

InChI Key

VGAYLUPOYYKOKX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01617611

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

375.41

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

2.631

Distribution Coefficient, logD

2.219

Water Solubility, LogSw

-2.90

Polar Surface Area

71.814

Acid Dissociation Constant (pKa)

7.20

Base Dissociation Constant (pKb)

3.64

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

References: we are preparing a list of scientific research reports with 5577-0019 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5577-0019?
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What is the minimum amount of 5577-0019 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5577-0019
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5577-0019
  • 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 5577-0019 available by request