8005-2828 Screening compound: 1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-[(E)-(4-cyanophenyl)methylidene]-4-methyl-1H-1,2,3-triazole-5-carbohydrazide

8005-2828 Screening compound: 1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-[(E)-(4-cyanophenyl)methylidene]-4-methyl-1H-1,2,3-triazole-5-carbohydrazide
8005-2828 Screening compound: 1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-[(E)-(4-cyanophenyl)methylidene]-4-methyl-1H-1,2,3-triazole-5-carbohydrazide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8005-2828
1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-[(E)-(4-cyanophenyl)methylidene]-4-methyl-1H-1,2,3-triazole-5-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

8005-2828

Molecular Formula

C14H11N9O2 (C14 H11 N9 O2)

Compound Name

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

IUPAC name

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

SMILES

Cc1c(C(N/N=C/c(cc2)ccc2C#N)=O)n(-c2nonc2N)nn1

InChI

InChI=1S/C14H11N9O2/c1-8-11(23(22-18-8)13-12(16)20-25-21-13)14(24)19-17-7-10-4-2-9(6-15)3-5-10/h2-5,7H,1H3,(H2,16,20)(H,19,24)

InChI Key

CZGZTQUQZOQSHU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00741297

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

337.3

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

11

Partition Coefficient, logP

0.862

Distribution Coefficient, logD

0.839

Water Solubility, LogSw

-1.89

Polar Surface Area

134.537

Acid Dissociation Constant (pKa)

8.66

Base Dissociation Constant (pKb)

4.56

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

7.10

References: we are preparing a list of scientific research reports with 8005-2828 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8005-2828?
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What is the minimum amount of 8005-2828 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8005-2828
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8005-2828
  • 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 8005-2828 available by request