8007-3877 Screening compound: benzyl 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-methyl-1H-1,2,3-triazole-4-carboxylate

8007-3877 Screening compound: benzyl 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-methyl-1H-1,2,3-triazole-4-carboxylate
8007-3877 Screening compound: benzyl 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-methyl-1H-1,2,3-triazole-4-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8007-3877
benzyl 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-methyl-1H-1,2,3-triazole-4-carboxylate

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

8007-3877

Molecular Formula

C13H12N6O3 (C13 H12 N6 O3)

Compound Name

benzyl 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-methyl-1H-1,2,3-triazole-4-carboxylate

IUPAC name

benzyl 1-(4-amino-125-oxadiazol-3-yl)-5-methyl-1H-123-triazole-4-carboxylate

SMILES

Cc1c(C(OCc2ccccc2)=O)nnn1-c1nonc1N

InChI

InChI=1S/C13H12N6O3/c1-8-10(13(20)21-7-9-5-3-2-4-6-9)15-18-19(8)12-11(14)16-22-17-12/h2-6H,7H2,1H3,(H2,14,16)

InChI Key

MYIYXJGHGYOALD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01240431

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

300.28

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

1.520

Distribution Coefficient, logD

1.520

Water Solubility, LogSw

-1.46

Polar Surface Area

104.187

Acid Dissociation Constant (pKa)

15.15

Base Dissociation Constant (pKb)

-0.62

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.40

8007-3877 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Antiviral Library (67538 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with 8007-3877 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8007-3877?
Check Price and Availability of 8007-3877, 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 8007-3877 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8007-3877
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8007-3877
  • 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 8007-3877 available by request