5577-0035 Screening compound: 4-(35-dimethyl-1lambda5-pyridin-1-ylium-1-yl)-2-oxo-5-[(E)-{[(pyridin-4-yl)formamido]imino}methyl]-23-dihydro-13-thiazol-3-ide

5577-0035 Screening compound: 4-(35-dimethyl-1lambda5-pyridin-1-ylium-1-yl)-2-oxo-5-[(E)-{[(pyridin-4-yl)formamido]imino}methyl]-23-dihydro-13-thiazol-3-ide
5577-0035 Screening compound: 4-(35-dimethyl-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 5577-0035
4-(35-dimethyl-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

5577-0035

Molecular Formula

C17H15N5O2S (C17 H15 N5 O2 S)

Compound Name

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

SMILES

Cc1c[n+](C([N-]2)=C(/C=N/NC(c3ccncc3)=O)SC2=O)cc(C)c1

InChI

InChI=1S/C17H15N5O2S/c1-11-7-12(2)10-22(9-11)15-14(25-17(24)20-15)8-19-21-16(23)13-3-5-18-6-4-13/h3-10H,1-2H3,(H-,18,19,20,21,23,24)

InChI Key

ZFDDBHBINDSEKJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01617614

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

353.4

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

2.552

Distribution Coefficient, logD

2.140

Water Solubility, LogSw

-2.59

Polar Surface Area

71.979

Acid Dissociation Constant (pKa)

7.20

Base Dissociation Constant (pKb)

3.64

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

11.80

References: we are preparing a list of scientific research reports with 5577-0035 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5577-0035?
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Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5577-0035
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5577-0035
  • 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 5577-0035 available by request