2130-0035 Screening compound: 1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-[(E)-[2-methoxy-5-(methylsulfanyl)thiophen-3-yl]methylidene]-5-phenyl-1H-1,2,3-triazole-4-carbohydrazide

2130-0035 Screening compound: 1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-[(E)-[2-methoxy-5-(methylsulfanyl)thiophen-3-yl]methylidene]-5-phenyl-1H-1,2,3-triazole-4-carbohydrazide
2130-0035 Screening compound: 1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-[(E)-[2-methoxy-5-(methylsulfanyl)thiophen-3-yl]methylidene]-5-phenyl-1H-1,2,3-triazole-4-carbohydrazide alternative view

Chemical Structure Depiction of ChemDiv screening compound 2130-0035
1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-[(E)-[2-methoxy-5-(methylsulfanyl)thiophen-3-yl]methylidene]-5-phenyl-1H-1,2,3-triazole-4-carbohydrazide

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

2130-0035

Molecular Formula

C18H16N8O3S2 (C18 H16 N8 O3 S2)

Compound Name

1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-[(E)-[2-methoxy-5-(methylsulfanyl)thiophen-3-yl]methylidene]-5-phenyl-1H-1,2,3-triazole-4-carbohydrazide

IUPAC name

1-(4-amino-125-oxadiazol-3-yl)-N'-[(E)-[2-methoxy-5-(methylsulfanyl)thiophen-3-yl]methylidene]-5-phenyl-1H-123-triazole-4-carbohydrazide

SMILES

COc1c(/C=N/NC(c2c(-c3ccccc3)n(-c3nonc3N)nn2)=O)cc(SC)s1

InChI

InChI=1S/C18H16N8O3S2/c1-28-18-11(8-12(30-2)31-18)9-20-22-17(27)13-14(10-6-4-3-5-7-10)26(25-21-13)16-15(19)23-29-24-16/h3-9H,1-2H3,(H2,19,23)(H,22,27)

InChI Key

ODQVNUYHIRKBAD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01198907

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

456.51

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

11

Partition Coefficient, logP

3.274

Distribution Coefficient, logD

3.274

Water Solubility, LogSw

-3.62

Polar Surface Area

127.940

Acid Dissociation Constant (pKa)

11.29

Base Dissociation Constant (pKb)

0.89

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

11.10

References: we are preparing a list of scientific research reports with 2130-0035 chemical compound. It will be published here after verification.

Frequently Asked Questions

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Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2130-0035
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Delivery formats for 2130-0035
  • 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 2130-0035 available by request