2066-0536 Screening compound: 1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-(1-benzylpiperidin-4-ylidene)-5-methyl-1H-1,2,3-triazole-4-carbohydrazide

2066-0536 Screening compound: 1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-(1-benzylpiperidin-4-ylidene)-5-methyl-1H-1,2,3-triazole-4-carbohydrazide
2066-0536 Screening compound: 1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-(1-benzylpiperidin-4-ylidene)-5-methyl-1H-1,2,3-triazole-4-carbohydrazide alternative view

Chemical Structure Depiction of ChemDiv screening compound 2066-0536
1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-(1-benzylpiperidin-4-ylidene)-5-methyl-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

2066-0536

Molecular Formula

C18H21N9O2 (C18 H21 N9 O2)

Compound Name

1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-(1-benzylpiperidin-4-ylidene)-5-methyl-1H-1,2,3-triazole-4-carbohydrazide

IUPAC name

1-(4-amino-125-oxadiazol-3-yl)-N'-(1-benzylpiperidin-4-ylidene)-5-methyl-1H-123-triazole-4-carbohydrazide

SMILES

Cc1c(C(NN=C2CCN(Cc3ccccc3)CC2)=O)nnn1-c1nonc1N

InChI

InChI=1S/C18H21N9O2/c1-12-15(21-25-27(12)17-16(19)23-29-24-17)18(28)22-20-14-7-9-26(10-8-14)11-13-5-3-2-4-6-13/h2-6H,7-11H2,1H3,(H2,19,23)(H,22,28)

InChI Key

VLSCYZLELZBENL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01532201

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

395.42

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

1.100

Distribution Coefficient, logD

0.786

Water Solubility, LogSw

-1.91

Polar Surface Area

122.414

Acid Dissociation Constant (pKa)

9.41

Base Dissociation Constant (pKb)

7.43

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

References: we are preparing a list of scientific research reports with 2066-0536 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2066-0536?
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What is the minimum amount of 2066-0536 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2066-0536
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2066-0536
  • 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 2066-0536 available by request