8007-1898 Screening compound: 1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-[(E)-(furan-2-yl)methylidene]-5-(methoxymethyl)-1H-1,2,3-triazole-4-carbohydrazide

8007-1898 Screening compound: 1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-[(E)-(furan-2-yl)methylidene]-5-(methoxymethyl)-1H-1,2,3-triazole-4-carbohydrazide
8007-1898 Screening compound: 1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-[(E)-(furan-2-yl)methylidene]-5-(methoxymethyl)-1H-1,2,3-triazole-4-carbohydrazide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8007-1898
1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-[(E)-(furan-2-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

8007-1898

Molecular Formula

C12H12N8O4 (C12 H12 N8 O4)

Compound Name

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

IUPAC name

1-(4-amino-125-oxadiazol-3-yl)-N'-[(E)-(furan-2-yl)methylidene]-5-(methoxymethyl)-1H-123-triazole-4-carbohydrazide

SMILES

COCc1c(C(N/N=C/c2ccco2)=O)nnn1-c1nonc1N

InChI

InChI=1S/C12H12N8O4/c1-22-6-8-9(12(21)16-14-5-7-3-2-4-23-7)15-19-20(8)11-10(13)17-24-18-11/h2-5H,6H2,1H3,(H2,13,17)(H,16,21)

InChI Key

KIRQCTKUCXFRGF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01113383

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

332.28

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

12

Partition Coefficient, logP

0.493

Distribution Coefficient, logD

0.492

Water Solubility, LogSw

-1.62

Polar Surface Area

134.328

Acid Dissociation Constant (pKa)

9.94

Base Dissociation Constant (pKb)

-0.73

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.70

8007-1898 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 8007-1898 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8007-1898?
Check Price and Availability of 8007-1898, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of 8007-1898 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8007-1898
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8007-1898
  • 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 8007-1898 available by request