1741-0837 Screening compound: 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-[(diethylamino)methyl]-N'-[(E)-(2-hydroxy-3,5-diiodophenyl)methylidene]-1H-1,2,3-triazole-4-carbohydrazide

1741-0837 Screening compound: 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-[(diethylamino)methyl]-N'-[(E)-(2-hydroxy-3,5-diiodophenyl)methylidene]-1H-1,2,3-triazole-4-carbohydrazide
1741-0837 Screening compound: 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-[(diethylamino)methyl]-N'-[(E)-(2-hydroxy-3,5-diiodophenyl)methylidene]-1H-1,2,3-triazole-4-carbohydrazide alternative view

Chemical Structure Depiction of ChemDiv screening compound 1741-0837
1-(4-amino-1,2,5-oxadiazol-3-yl)-5-[(diethylamino)methyl]-N'-[(E)-(2-hydroxy-3,5-diiodophenyl)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

1741-0837

Molecular Formula

C17H19I2N9O3 (C17 H19 I2 N9 O3)

Compound Name

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

IUPAC name

1-(4-amino-125-oxadiazol-3-yl)-5-[(diethylamino)methyl]-N'-[(E)-(2-hydroxy-35-diiodophenyl)methylidene]-1H-123-triazole-4-carbohydrazide

SMILES

CCN(CC)Cc1c(C(N/N=C/c2cc(I)cc(I)c2O)=O)nnn1-c1nonc1N

InChI

InChI=1S/C17H19I2N9O3/c1-3-27(4-2)8-12-13(22-26-28(12)16-15(20)24-31-25-16)17(30)23-21-7-9-5-10(18)6-11(19)14(9)29/h5-7,29H,3-4,8H2,1-2H3,(H2,20,24)(H,23,30)

InChI Key

YNKCNWDSEWYEFU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01246872

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

651.21

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

4.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

12

Partition Coefficient, logP

3.712

Distribution Coefficient, logD

3.027

Water Solubility, LogSw

-3.79

Polar Surface Area

137.067

Acid Dissociation Constant (pKa)

8.30

Base Dissociation Constant (pKb)

7.98

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

29.40

References: we are preparing a list of scientific research reports with 1741-0837 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 1741-0837
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1741-0837
  • 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 1741-0837 available by request