2130-0049 Screening compound: 1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-[(E)-(2H-1,3-benzodioxol-5-yl)methylidene]-5-phenyl-1H-1,2,3-triazole-4-carbohydrazide

2130-0049 Screening compound: 1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-[(E)-(2H-1,3-benzodioxol-5-yl)methylidene]-5-phenyl-1H-1,2,3-triazole-4-carbohydrazide
2130-0049 Screening compound: 1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-[(E)-(2H-1,3-benzodioxol-5-yl)methylidene]-5-phenyl-1H-1,2,3-triazole-4-carbohydrazide alternative view

Chemical Structure Depiction of ChemDiv screening compound 2130-0049
1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-[(E)-(2H-1,3-benzodioxol-5-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

2130-0049

Molecular Formula

C19H14N8O4 (C19 H14 N8 O4)

Compound Name

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

IUPAC name

1-(4-amino-125-oxadiazol-3-yl)-N'-[(E)-(2H-13-benzodioxol-5-yl)methylidene]-5-phenyl-1H-123-triazole-4-carbohydrazide

SMILES

Nc1nonc1-n1nnc(C(N/N=C/c(cc2)cc3c2OCO3)=O)c1-c1ccccc1

InChI

InChI=1S/C19H14N8O4/c20-17-18(25-31-24-17)27-16(12-4-2-1-3-5-12)15(22-26-27)19(28)23-21-9-11-6-7-13-14(8-11)30-10-29-13/h1-9H,10H2,(H2,20,24)(H,23,28)

InChI Key

LXAZQAAQDVVTIH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00770635

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

418.37

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

12

Partition Coefficient, logP

2.616

Distribution Coefficient, logD

2.616

Water Solubility, LogSw

-3.20

Polar Surface Area

134.518

Acid Dissociation Constant (pKa)

10.87

Base Dissociation Constant (pKb)

1.99

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

5.30

2130-0049 in Drug Discovery

Included in Screening Libraries

CNS Annotated Library (688 compounds)

Human GPCR Annotated Library (5539 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 2130-0049 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2130-0049?
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What is the minimum amount of 2130-0049 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2130-0049
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2130-0049
  • 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 2130-0049 available by request