2130-0034 Screening compound: 1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-[(E)-[5-iodo-2-(methylsulfanyl)thiophen-3-yl]methylidene]-5-phenyl-1H-1,2,3-triazole-4-carbohydrazide

2130-0034 Screening compound: 1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-[(E)-[5-iodo-2-(methylsulfanyl)thiophen-3-yl]methylidene]-5-phenyl-1H-1,2,3-triazole-4-carbohydrazide
2130-0034 Screening compound: 1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-[(E)-[5-iodo-2-(methylsulfanyl)thiophen-3-yl]methylidene]-5-phenyl-1H-1,2,3-triazole-4-carbohydrazide alternative view

Chemical Structure Depiction of ChemDiv screening compound 2130-0034
1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-[(E)-[5-iodo-2-(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

2130-0034

Molecular Formula

C17H13IN8O2S2 (C17 H13 IN8 O2 S2)

Compound Name

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

SMILES

CSc(s1)c(/C=N/NC(c2c(-c3ccccc3)n(-c3nonc3N)nn2)=O)cc1I

InChI

InChI=1S/C17H13IN8O2S2/c1-29-17-10(7-11(18)30-17)8-20-22-16(27)12-13(9-5-3-2-4-6-9)26(25-21-12)15-14(19)23-28-24-15/h2-8H,1H3,(H2,19,23)(H,22,27)

InChI Key

HXDXPQIMPHAEKG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01198906

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

552.38

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

4.311

Distribution Coefficient, logD

4.311

Water Solubility, LogSw

-4.50

Polar Surface Area

118.421

Acid Dissociation Constant (pKa)

11.06

Base Dissociation Constant (pKb)

-0.50

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

5.90

References: we are preparing a list of scientific research reports with 2130-0034 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 2130-0034
ChemDiv sends parcels with Express services (UPS, WC).
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Delivery formats for 2130-0034
  • 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 2130-0034 available by request