2556-1170 Screening compound: 2-methoxy-4-{[(5E)-2-(3-nitrophenyl)-6-oxo-5H,6H-[1,2,4]triazolo[3,2-b][1,3]thiazol-5-ylidene]methyl}phenyl acetate

2556-1170 Screening compound: 2-methoxy-4-{[(5E)-2-(3-nitrophenyl)-6-oxo-5H,6H-[1,2,4]triazolo[3,2-b][1,3]thiazol-5-ylidene]methyl}phenyl acetate
2556-1170 Screening compound: 2-methoxy-4-{[(5E)-2-(3-nitrophenyl)-6-oxo-5H,6H-[1,2,4]triazolo[3,2-b][1,3]thiazol-5-ylidene]methyl}phenyl acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound 2556-1170
2-methoxy-4-{[(5E)-2-(3-nitrophenyl)-6-oxo-5H,6H-[1,2,4]triazolo[3,2-b][1,3]thiazol-5-ylidene]methyl}phenyl acetate

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

2556-1170

Molecular Formula

C20H14N4O6S (C20 H14 N4 O6 S)

Compound Name

2-methoxy-4-{[(5E)-2-(3-nitrophenyl)-6-oxo-5H,6H-[1,2,4]triazolo[3,2-b][1,3]thiazol-5-ylidene]methyl}phenyl acetate

IUPAC name

2-methoxy-4-{[(5E)-2-(3-nitrophenyl)-6-oxo-5H6H-[124]triazolo[32-b][13]thiazol-5-ylidene]methyl}phenyl acetate

SMILES

CC(Oc(ccc(/C=C1/Sc2nc(-c3cc([N+]([O-])=O)ccc3)nn2C1=O)c1)c1OC)=O

InChI

InChI=1S/C20H14N4O6S/c1-11(25)30-15-7-6-12(8-16(15)29-2)9-17-19(26)23-20(31-17)21-18(22-23)13-4-3-5-14(10-13)24(27)28/h3-10H,1-2H3

InChI Key

JNEMDZOLIGFRFH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01458874

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

438.42

Hydrogen Bond Acceptors Count

13.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

3.547

Distribution Coefficient, logD

3.547

Water Solubility, LogSw

-3.93

Polar Surface Area

99.046

Acid Dissociation Constant (pKa)

22.67

Base Dissociation Constant (pKb)

-3.36

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

10.00

References: we are preparing a list of scientific research reports with 2556-1170 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2556-1170?
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What is the minimum amount of 2556-1170 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2556-1170
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2556-1170
  • 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 2556-1170 available by request