1114-0163 Screening compound: 5-{[(E)-2-(2,4-dinitrophenyl)hydrazono]methyl}-4-(4-methyl-1-pyridiniumyl)-1,3-thiazol-2-olate

1114-0163 Screening compound: 5-{[(E)-2-(2,4-dinitrophenyl)hydrazono]methyl}-4-(4-methyl-1-pyridiniumyl)-1,3-thiazol-2-olate
1114-0163 Screening compound: 5-{[(E)-2-(2,4-dinitrophenyl)hydrazono]methyl}-4-(4-methyl-1-pyridiniumyl)-1,3-thiazol-2-olate alternative view

Chemical Structure Depiction of ChemDiv screening compound 1114-0163
5-{[(E)-2-(2,4-dinitrophenyl)hydrazono]methyl}-4-(4-methyl-1-pyridiniumyl)-1,3-thiazol-2-olate

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

1114-0163

Molecular Formula

C16H12N6O5S (C16 H12 N6 O5 S)

Compound Name

5-{[(E)-2-(2,4-dinitrophenyl)hydrazono]methyl}-4-(4-methyl-1-pyridiniumyl)-1,3-thiazol-2-olate

IUPAC name

1-{5-[(E)-[2-(24-dinitrophenyl)hydrazin-1-ylidene]methyl]-2-oxido-13-thiazol-4-yl}-4-methyl-1lambda5-pyridin-1-ylium

SMILES

Cc(cc1)cc[n+]1-c1c(/C=N/Nc(ccc([N+]([O-])=O)c2)c2[N+]([O-])=O)sc([O-])n1

InChI

InChI=1S/C16H12N6O5S/c1-10-4-6-20(7-5-10)15-14(28-16(23)18-15)9-17-19-12-3-2-11(21(24)25)8-13(12)22(26)27/h2-9,19H,1H3

InChI Key

AOUHNYZWTCGOFB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01052993

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

400.37

Hydrogen Bond Acceptors Count

12.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

11

Partition Coefficient, logP

3.810

Distribution Coefficient, logD

3.809

Water Solubility, LogSw

-3.95

Polar Surface Area

116.710

Acid Dissociation Constant (pKa)

10.44

Base Dissociation Constant (pKb)

-0.48

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

6.30

References: we are preparing a list of scientific research reports with 1114-0163 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1114-0163?
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Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1114-0163
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1114-0163
  • 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 1114-0163 available by request