1981-1419 Screening compound: 1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-[(E)-(4-ethoxy-3-methoxyphenyl)methylidene]-5-(methoxymethyl)-1H-1,2,3-triazole-4-carbohydrazide

1981-1419 Screening compound: 1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-[(E)-(4-ethoxy-3-methoxyphenyl)methylidene]-5-(methoxymethyl)-1H-1,2,3-triazole-4-carbohydrazide
1981-1419 Screening compound: 1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-[(E)-(4-ethoxy-3-methoxyphenyl)methylidene]-5-(methoxymethyl)-1H-1,2,3-triazole-4-carbohydrazide alternative view

Chemical Structure Depiction of ChemDiv screening compound 1981-1419
1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-[(E)-(4-ethoxy-3-methoxyphenyl)methylidene]-5-(methoxymethyl)-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

1981-1419

Molecular Formula

C17H20N8O5 (C17 H20 N8 O5)

Compound Name

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

IUPAC name

1-(4-amino-125-oxadiazol-3-yl)-N'-[(E)-(4-ethoxy-3-methoxyphenyl)methylidene]-5-(methoxymethyl)-1H-123-triazole-4-carbohydrazide

SMILES

CCOc(ccc(/C=N/NC(c1c(COC)n(-c2nonc2N)nn1)=O)c1)c1OC

InChI

InChI=1S/C17H20N8O5/c1-4-29-12-6-5-10(7-13(12)28-3)8-19-21-17(26)14-11(9-27-2)25(24-20-14)16-15(18)22-30-23-16/h5-8H,4,9H2,1-3H3,(H2,18,22)(H,21,26)

InChI Key

PFRPIMFVMHECIU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01448497

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

416.4

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

13

Partition Coefficient, logP

1.024

Distribution Coefficient, logD

1.019

Water Solubility, LogSw

-2.18

Polar Surface Area

141.420

Acid Dissociation Constant (pKa)

9.32

Base Dissociation Constant (pKb)

0.73

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

29.40

References: we are preparing a list of scientific research reports with 1981-1419 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 1981-1419
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1981-1419
  • 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 1981-1419 available by request