1307-0021 Screening compound: ethyl 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-methyl-1H-1,2,3-triazole-4-carboxylate

1307-0021 Screening compound: ethyl 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-methyl-1H-1,2,3-triazole-4-carboxylate
1307-0021 Screening compound: ethyl 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 1307-0021
ethyl 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

1307-0021

Molecular Formula

C8H10N6O3 (C8 H10 N6 O3)

Compound Name

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

IUPAC name

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

SMILES

CCOC(c1c(C)n(-c2nonc2N)nn1)=O

InChI

InChI=1S/C8H10N6O3/c1-3-16-8(15)5-4(2)14(13-10-5)7-6(9)11-17-12-7/h3H2,1-2H3,(H2,9,11)

InChI Key

KYZMFTONAWIHRJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00748074

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

238.21

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

0.446

Distribution Coefficient, logD

0.446

Water Solubility, LogSw

-0.23

Polar Surface Area

104.083

Acid Dissociation Constant (pKa)

15.15

Base Dissociation Constant (pKb)

-0.62

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

37.50

1307-0021 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 compounds)

Dark Chemical Matter Library (18430 compounds)

Frequent Hitters Library (7624 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
Agro:
  • Agro
Structure:
  • Pool
  • Pool

References: we are preparing a list of scientific research reports with 1307-0021 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1307-0021?
Check Price and Availability of 1307-0021, 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 1307-0021 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1307-0021
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1307-0021
  • 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 1307-0021 available by request