2130-0001 Screening compound: 1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-[(E)-(3-hydroxy-2-methoxy-4-nitrophenyl)methylidene]-5-phenyl-1H-1,2,3-triazole-4-carbohydrazide

2130-0001 Screening compound: 1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-[(E)-(3-hydroxy-2-methoxy-4-nitrophenyl)methylidene]-5-phenyl-1H-1,2,3-triazole-4-carbohydrazide
2130-0001 Screening compound: 1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-[(E)-(3-hydroxy-2-methoxy-4-nitrophenyl)methylidene]-5-phenyl-1H-1,2,3-triazole-4-carbohydrazide alternative view

Chemical Structure Depiction of ChemDiv screening compound 2130-0001
1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-[(E)-(3-hydroxy-2-methoxy-4-nitrophenyl)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

2130-0001

Molecular Formula

C19H15N9O6 (C19 H15 N9 O6)

Compound Name

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

IUPAC name

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

SMILES

COc1c(/C=N/NC(c2c(-c3ccccc3)n(-c3nonc3N)nn2)=O)ccc([N+]([O-])=O)c1O

InChI

InChI=1S/C19H15N9O6/c1-33-16-11(7-8-12(15(16)29)28(31)32)9-21-23-19(30)13-14(10-5-3-2-4-6-10)27(26-22-13)18-17(20)24-34-25-18/h2-9,29H,1H3,(H2,20,24)(H,23,30)

InChI Key

DDBZCJYNKIGXMH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01198881

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

465.39

Hydrogen Bond Acceptors Count

14.00

Hydrogen Bond Donors Count

4.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

15

Partition Coefficient, logP

2.697

Distribution Coefficient, logD

1.813

Water Solubility, LogSw

-3.10

Polar Surface Area

173.679

Acid Dissociation Constant (pKa)

6.58

Base Dissociation Constant (pKb)

1.16

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

5.30

References: we are preparing a list of scientific research reports with 2130-0001 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2130-0001?
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What is the minimum amount of 2130-0001 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2130-0001
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2130-0001
  • 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 2130-0001 available by request