C066-4192 Screening compound: 4-[5-(ethoxycarbonyl)-1,2,4-oxadiazol-3-yl]-1-methylpyridin-1-ium

C066-4192 Screening compound: 4-[5-(ethoxycarbonyl)-1,2,4-oxadiazol-3-yl]-1-methylpyridin-1-ium
C066-4192 Screening compound: 4-[5-(ethoxycarbonyl)-1,2,4-oxadiazol-3-yl]-1-methylpyridin-1-ium alternative view

Chemical Structure Depiction of ChemDiv screening compound C066-4192
4-[5-(ethoxycarbonyl)-1,2,4-oxadiazol-3-yl]-1-methylpyridin-1-ium

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

C066-4192

Molecular Formula

C11H12N3O3 (C11 H12 N3 O3)

Compound Name

4-[5-(ethoxycarbonyl)-1,2,4-oxadiazol-3-yl]-1-methylpyridin-1-ium

IUPAC name

4-[5-(ethoxycarbonyl)-124-oxadiazol-3-yl]-1-methylpyridin-1-ium

SMILES

CCOC(c1nc(-c2cc[n+](C)cc2)no1)=O

InChI

InChI=1S/C11H12N3O3/c1-3-16-11(15)10-12-9(13-17-10)8-4-6-14(2)7-5-8/h4-7H,3H2,1-2H3/q+1

InChI Key

PHDCWUHKPZIOIL-UHFFFAOYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

I-

Molecular Weight

234.23

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

1.636

Distribution Coefficient, logD

1.636

Water Solubility, LogSw

-1.86

Polar Surface Area

56.035

Acid Dissociation Constant (pKa)

28.78

Base Dissociation Constant (pKb)

-9.16

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

27.30

C066-4192 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with C066-4192 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C066-4192?
Check Price and Availability of C066-4192, 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 C066-4192 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C066-4192
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C066-4192
  • 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 C066-4192 available by request