8004-7498 Screening compound: N'~4~-{(E)-1-[1-(4-amino-1,2,5-oxadiazol-3-yl)-5-methyl-1H-1,2,3-triazol-4-yl]ethylidene}isonicotinohydrazide

8004-7498 Screening compound: N'~4~-{(E)-1-[1-(4-amino-1,2,5-oxadiazol-3-yl)-5-methyl-1H-1,2,3-triazol-4-yl]ethylidene}isonicotinohydrazide
8004-7498 Screening compound: N'~4~-{(E)-1-[1-(4-amino-1,2,5-oxadiazol-3-yl)-5-methyl-1H-1,2,3-triazol-4-yl]ethylidene}isonicotinohydrazide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8004-7498
N'~4~-{(E)-1-[1-(4-amino-1,2,5-oxadiazol-3-yl)-5-methyl-1H-1,2,3-triazol-4-yl]ethylidene}isonicotinohydrazide

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

8004-7498

Molecular Formula

C13H13N9O2 (C13 H13 N9 O2)

Compound Name

N'~4~-{(E)-1-[1-(4-amino-1,2,5-oxadiazol-3-yl)-5-methyl-1H-1,2,3-triazol-4-yl]ethylidene}isonicotinohydrazide

IUPAC name

N'-[(1E)-1-[1-(4-amino-125-oxadiazol-3-yl)-5-methyl-1H-123-triazol-4-yl]ethylidene]pyridine-4-carbohydrazide

SMILES

C/C(/c1c(C)n(-c2nonc2N)nn1)=N\NC(c1ccncc1)=O

InChI

InChI=1S/C13H13N9O2/c1-7(16-18-13(23)9-3-5-15-6-4-9)10-8(2)22(21-17-10)12-11(14)19-24-20-12/h3-6H,1-2H3,(H2,14,19)(H,18,23)

InChI Key

DGGKMFOKAJTXJU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00740279

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

327.31

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

11

Partition Coefficient, logP

0.175

Distribution Coefficient, logD

-0.291

Water Solubility, LogSw

-0.70

Polar Surface Area

127.361

Acid Dissociation Constant (pKa)

7.12

Base Dissociation Constant (pKb)

3.64

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.38

References: we are preparing a list of scientific research reports with 8004-7498 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8004-7498?
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What is the minimum amount of 8004-7498 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8004-7498
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8004-7498
  • 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 8004-7498 available by request