1766-1172 Screening compound: 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-[(diethylamino)methyl]-N'-[(E)-(5-methylfuran-2-yl)methylidene]-1H-1,2,3-triazole-4-carbohydrazide

1766-1172 Screening compound: 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-[(diethylamino)methyl]-N'-[(E)-(5-methylfuran-2-yl)methylidene]-1H-1,2,3-triazole-4-carbohydrazide
1766-1172 Screening compound: 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-[(diethylamino)methyl]-N'-[(E)-(5-methylfuran-2-yl)methylidene]-1H-1,2,3-triazole-4-carbohydrazide alternative view

Chemical Structure Depiction of ChemDiv screening compound 1766-1172
1-(4-amino-1,2,5-oxadiazol-3-yl)-5-[(diethylamino)methyl]-N'-[(E)-(5-methylfuran-2-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

1766-1172

Molecular Formula

C16H21N9O3 (C16 H21 N9 O3)

Compound Name

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

IUPAC name

1-(4-amino-125-oxadiazol-3-yl)-5-[(diethylamino)methyl]-N'-[(E)-(5-methylfuran-2-yl)methylidene]-1H-123-triazole-4-carbohydrazide

SMILES

CCN(CC)Cc1c(C(N/N=C/c2ccc(C)o2)=O)nnn1-c1nonc1N

InChI

InChI=1S/C16H21N9O3/c1-4-24(5-2)9-12-13(19-23-25(12)15-14(17)21-28-22-15)16(26)20-18-8-11-7-6-10(3)27-11/h6-8H,4-5,9H2,1-3H3,(H2,17,21)(H,20,26)

InChI Key

ZQKAUULIQNKFDP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00827273

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

387.4

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

12

Partition Coefficient, logP

1.632

Distribution Coefficient, logD

0.948

Water Solubility, LogSw

-2.30

Polar Surface Area

128.851

Acid Dissociation Constant (pKa)

10.31

Base Dissociation Constant (pKb)

7.98

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

37.50

1766-1172 in Drug Discovery

Included in Screening Libraries

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 1766-1172 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 1766-1172
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1766-1172
  • 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 1766-1172 available by request