2066-0621 Screening compound: 1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-[(E)-(1H-indol-3-yl)methylidene]-5-(methoxymethyl)-1H-1,2,3-triazole-4-carbohydrazide

2066-0621 Screening compound: 1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-[(E)-(1H-indol-3-yl)methylidene]-5-(methoxymethyl)-1H-1,2,3-triazole-4-carbohydrazide
2066-0621 Screening compound: 1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-[(E)-(1H-indol-3-yl)methylidene]-5-(methoxymethyl)-1H-1,2,3-triazole-4-carbohydrazide alternative view

Chemical Structure Depiction of ChemDiv screening compound 2066-0621
1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-[(E)-(1H-indol-3-yl)methylidene]-5-(methoxymethyl)-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

2066-0621

Molecular Formula

C16H15N9O3 (C16 H15 N9 O3)

Compound Name

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

IUPAC name

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

SMILES

COCc1c(C(N/N=C/c2c[nH]c3c2cccc3)=O)nnn1-c1nonc1N

InChI

InChI=1S/C16H15N9O3/c1-27-8-12-13(20-24-25(12)15-14(17)22-28-23-15)16(26)21-19-7-9-6-18-11-5-3-2-4-10(9)11/h2-7,18H,8H2,1H3,(H2,17,22)(H,21,26)

InChI Key

NLUNIWDNNVTBQJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01451634

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

381.35

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

4.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

12

Partition Coefficient, logP

1.378

Distribution Coefficient, logD

1.370

Water Solubility, LogSw

-2.03

Polar Surface Area

136.450

Acid Dissociation Constant (pKa)

9.11

Base Dissociation Constant (pKb)

3.90

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

12.50

2066-0621 in Drug Discovery

Included in Screening Libraries

Dark Chemical Matter Library (18430 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool

References: we are preparing a list of scientific research reports with 2066-0621 chemical compound. It will be published here after verification.

Frequently Asked Questions

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What is the minimum amount of 2066-0621 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2066-0621
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2066-0621
  • 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 2066-0621 available by request