6210-0534 Screening compound: (6E)-3-(2-methylphenyl)-6-[(3-nitrophenyl)methylidene]-5H,6H-[1,2,4]triazolo[3,4-b][1,3]thiazol-5-one

6210-0534 Screening compound: (6E)-3-(2-methylphenyl)-6-[(3-nitrophenyl)methylidene]-5H,6H-[1,2,4]triazolo[3,4-b][1,3]thiazol-5-one
6210-0534 Screening compound: (6E)-3-(2-methylphenyl)-6-[(3-nitrophenyl)methylidene]-5H,6H-[1,2,4]triazolo[3,4-b][1,3]thiazol-5-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 6210-0534
(6E)-3-(2-methylphenyl)-6-[(3-nitrophenyl)methylidene]-5H,6H-[1,2,4]triazolo[3,4-b][1,3]thiazol-5-one

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

6210-0534

Molecular Formula

C18H12N4O3S (C18 H12 N4 O3 S)

Compound Name

(6E)-3-(2-methylphenyl)-6-[(3-nitrophenyl)methylidene]-5H,6H-[1,2,4]triazolo[3,4-b][1,3]thiazol-5-one

IUPAC name

(6E)-3-(2-methylphenyl)-6-[(3-nitrophenyl)methylidene]-5H6H-[124]triazolo[34-b][13]thiazol-5-one

SMILES

Cc(cccc1)c1-c(n1C2=O)nnc1S/C2=C/c1cc([N+]([O-])=O)ccc1

InChI

InChI=1S/C18H12N4O3S/c1-11-5-2-3-8-14(11)16-19-20-18-21(16)17(23)15(26-18)10-12-6-4-7-13(9-12)22(24)25/h2-10H,1H3

InChI Key

HCUMOOYUARLAOX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD09538101

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

364.38

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.366

Distribution Coefficient, logD

3.366

Water Solubility, LogSw

-3.75

Polar Surface Area

71.326

Acid Dissociation Constant (pKa)

27.73

Base Dissociation Constant (pKb)

-1.97

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

5.60

References: we are preparing a list of scientific research reports with 6210-0534 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6210-0534?
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What is the minimum amount of 6210-0534 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6210-0534
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6210-0534
  • 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 6210-0534 available by request