8003-0108 Screening compound: 4-[2-(3,5-dimethyl-1H-pyrazol-1-yl)ethoxy]-1,2,5-oxadiazol-3-amine

8003-0108 Screening compound: 4-[2-(3,5-dimethyl-1H-pyrazol-1-yl)ethoxy]-1,2,5-oxadiazol-3-amine
8003-0108 Screening compound: 4-[2-(3,5-dimethyl-1H-pyrazol-1-yl)ethoxy]-1,2,5-oxadiazol-3-amine alternative view

Chemical Structure Depiction of ChemDiv screening compound 8003-0108
4-[2-(3,5-dimethyl-1H-pyrazol-1-yl)ethoxy]-1,2,5-oxadiazol-3-amine

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

8003-0108

Molecular Formula

C9H13N5O2 (C9 H13 N5 O2)

Compound Name

4-[2-(3,5-dimethyl-1H-pyrazol-1-yl)ethoxy]-1,2,5-oxadiazol-3-amine

IUPAC name

4-[2-(35-dimethyl-1H-pyrazol-1-yl)ethoxy]-125-oxadiazol-3-amine

SMILES

Cc1cc(C)nn1CCOc1nonc1N

InChI

InChI=1S/C9H13N5O2/c1-6-5-7(2)14(11-6)3-4-15-9-8(10)12-16-13-9/h5H,3-4H2,1-2H3,(H2,10,12)

InChI Key

VZQXPVJEADPFAC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00501867

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

223.23

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

0.451

Distribution Coefficient, logD

0.451

Water Solubility, LogSw

-0.86

Polar Surface Area

78.442

Acid Dissociation Constant (pKa)

17.09

Base Dissociation Constant (pKb)

3.02

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

44.40

8003-0108 in Drug Discovery

Included in Screening Libraries

3D-Fragment Library (4274 compounds)

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

Soluble Diversity Library (15920 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
  • Fragments
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 8003-0108 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8003-0108?
Check Price and Availability of 8003-0108, 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 8003-0108 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8003-0108
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8003-0108
  • 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 8003-0108 available by request