8007-8154 Screening compound: 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-[(azepan-1-yl)methyl]-N'-[(E)-(3,4,5-trimethoxyphenyl)methylidene]-1H-1,2,3-triazole-4-carbohydrazide

8007-8154 Screening compound: 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-[(azepan-1-yl)methyl]-N'-[(E)-(3,4,5-trimethoxyphenyl)methylidene]-1H-1,2,3-triazole-4-carbohydrazide
8007-8154 Screening compound: 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-[(azepan-1-yl)methyl]-N'-[(E)-(3,4,5-trimethoxyphenyl)methylidene]-1H-1,2,3-triazole-4-carbohydrazide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8007-8154
1-(4-amino-1,2,5-oxadiazol-3-yl)-5-[(azepan-1-yl)methyl]-N'-[(E)-(3,4,5-trimethoxyphenyl)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

8007-8154

Molecular Formula

C22H29N9O5 (C22 H29 N9 O5)

Compound Name

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

IUPAC name

1-(4-amino-125-oxadiazol-3-yl)-5-[(azepan-1-yl)methyl]-N'-[(E)-(345-trimethoxyphenyl)methylidene]-1H-123-triazole-4-carbohydrazide

SMILES

COc1cc(/C=N/NC(c2c(CN3CCCCCC3)n(-c3nonc3N)nn2)=O)cc(OC)c1OC

InChI

InChI=1S/C22H29N9O5/c1-33-16-10-14(11-17(34-2)19(16)35-3)12-24-26-22(32)18-15(13-30-8-6-4-5-7-9-30)31(29-25-18)21-20(23)27-36-28-21/h10-12H,4-9,13H2,1-3H3,(H2,23,27)(H,26,32)

InChI Key

FBKXIZLSKRYQAO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01239787

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

499.53

Hydrogen Bond Acceptors Count

12.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

14

Partition Coefficient, logP

2.051

Distribution Coefficient, logD

1.481

Water Solubility, LogSw

-2.66

Polar Surface Area

145.197

Acid Dissociation Constant (pKa)

9.27

Base Dissociation Constant (pKb)

7.83

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

45.50

References: we are preparing a list of scientific research reports with 8007-8154 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 8007-8154
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8007-8154
  • 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 8007-8154 available by request