6703-1962 Screening compound: ethyl 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-{[ethyl(phenyl)amino]methyl}-1H-1,2,3-triazole-4-carboxylate

6703-1962 Screening compound: ethyl 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-{[ethyl(phenyl)amino]methyl}-1H-1,2,3-triazole-4-carboxylate
6703-1962 Screening compound: ethyl 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-{[ethyl(phenyl)amino]methyl}-1H-1,2,3-triazole-4-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 6703-1962
ethyl 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-{[ethyl(phenyl)amino]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

6703-1962

Molecular Formula

C16H19N7O3 (C16 H19 N7 O3)

Compound Name

ethyl 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-{[ethyl(phenyl)amino]methyl}-1H-1,2,3-triazole-4-carboxylate

IUPAC name

ethyl 1-(4-amino-125-oxadiazol-3-yl)-5-{[ethyl(phenyl)amino]methyl}-1H-123-triazole-4-carboxylate

SMILES

CCN(Cc1c(C(OCC)=O)nnn1-c1nonc1N)c1ccccc1

InChI

InChI=1S/C16H19N7O3/c1-3-22(11-8-6-5-7-9-11)10-12-13(16(24)25-4-2)18-21-23(12)15-14(17)19-26-20-15/h5-9H,3-4,10H2,1-2H3,(H2,17,19)

InChI Key

YJTZGWYVYHDESV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03855661

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

357.37

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

2.271

Distribution Coefficient, logD

2.271

Water Solubility, LogSw

-2.43

Polar Surface Area

106.333

Acid Dissociation Constant (pKa)

15.15

Base Dissociation Constant (pKb)

4.50

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

31.30

6703-1962 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 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

References: we are preparing a list of scientific research reports with 6703-1962 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6703-1962?
Check Price and Availability of 6703-1962, 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 6703-1962 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6703-1962
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6703-1962
  • 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 6703-1962 available by request