5218-3895 Screening compound: 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-[(2,3-dihydro-1H-indol-1-yl)methyl]-N'-[(E)-(pyridin-4-yl)methylidene]-1H-1,2,3-triazole-4-carbohydrazide

5218-3895 Screening compound: 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-[(2,3-dihydro-1H-indol-1-yl)methyl]-N'-[(E)-(pyridin-4-yl)methylidene]-1H-1,2,3-triazole-4-carbohydrazide
5218-3895 Screening compound: 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-[(2,3-dihydro-1H-indol-1-yl)methyl]-N'-[(E)-(pyridin-4-yl)methylidene]-1H-1,2,3-triazole-4-carbohydrazide alternative view

Chemical Structure Depiction of ChemDiv screening compound 5218-3895
1-(4-amino-1,2,5-oxadiazol-3-yl)-5-[(2,3-dihydro-1H-indol-1-yl)methyl]-N'-[(E)-(pyridin-4-yl)methylidene]-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

5218-3895

Molecular Formula

C20H18N10O2 (C20 H18 N10 O2)

Compound Name

1-(4-amino-1,2,5-oxadiazol-3-yl)-5-[(2,3-dihydro-1H-indol-1-yl)methyl]-N'-[(E)-(pyridin-4-yl)methylidene]-1H-1,2,3-triazole-4-carbohydrazide

IUPAC name

1-(4-amino-125-oxadiazol-3-yl)-5-[(23-dihydro-1H-indol-1-yl)methyl]-N'-[(E)-(pyridin-4-yl)methylidene]-1H-123-triazole-4-carbohydrazide

SMILES

Nc1nonc1-n1nnc(C(N/N=C/c2ccncc2)=O)c1CN(CC1)c2c1cccc2

InChI

InChI=1S/C20H18N10O2/c21-18-19(27-32-26-18)30-16(12-29-10-7-14-3-1-2-4-15(14)29)17(24-28-30)20(31)25-23-11-13-5-8-22-9-6-13/h1-6,8-9,11H,7,10,12H2,(H2,21,26)(H,25,31)

InChI Key

WUJOHUZYLCHPET-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03323754

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

430.43

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

12

Partition Coefficient, logP

1.520

Distribution Coefficient, logD

1.504

Water Solubility, LogSw

-1.86

Polar Surface Area

130.512

Acid Dissociation Constant (pKa)

8.84

Base Dissociation Constant (pKb)

4.41

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.00

References: we are preparing a list of scientific research reports with 5218-3895 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5218-3895?
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Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5218-3895
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5218-3895
  • 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 5218-3895 available by request