4900-0070 Screening compound: 5-imino-3-(2-phenylethyl)-4,5-dihydro-1,2,3-oxadiazol-3-ium-4-ide

4900-0070 Screening compound: 5-imino-3-(2-phenylethyl)-4,5-dihydro-1,2,3-oxadiazol-3-ium-4-ide
4900-0070 Screening compound: 5-imino-3-(2-phenylethyl)-4,5-dihydro-1,2,3-oxadiazol-3-ium-4-ide alternative view

Chemical Structure Depiction of ChemDiv screening compound 4900-0070
5-imino-3-(2-phenylethyl)-4,5-dihydro-1,2,3-oxadiazol-3-ium-4-ide

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

4900-0070

Molecular Formula

C10H11N3O (C10 H11 N3 O)

Compound Name

5-imino-3-(2-phenylethyl)-4,5-dihydro-1,2,3-oxadiazol-3-ium-4-ide

IUPAC name

n/a

SMILES

N=C([CH-]1)ON=[N+]1CCc1ccccc1

InChI

InChI=1S/C10H11N3O/c11-10-8-13(12-14-10)7-6-9-4-2-1-3-5-9/h1-5,8,11H,6-7H2

InChI Key

KLVFZOBIIFQANC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03448145

Chemical and Physical Properties

Saltdata

HCl

Molecular Weight

189.22

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

1.029

Distribution Coefficient, logD

1.023

Water Solubility, LogSw

-1.56

Polar Surface Area

47.531

Acid Dissociation Constant (pKa)

26.44

Base Dissociation Constant (pKb)

5.59

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

30.00

4900-0070 in Drug Discovery

Included in Screening Libraries

Cardiovascular Library (22201 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cardiovascular

References: we are preparing a list of scientific research reports with 4900-0070 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4900-0070?
Check Price and Availability of 4900-0070, 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 4900-0070 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4900-0070
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4900-0070
  • 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 4900-0070 available by request