7092-1235 Screening compound: 4-amino-N-[2-(benzylamino)ethyl]-1,2,5-oxadiazole-3-carboxamide

7092-1235 Screening compound: 4-amino-N-[2-(benzylamino)ethyl]-1,2,5-oxadiazole-3-carboxamide
7092-1235 Screening compound: 4-amino-N-[2-(benzylamino)ethyl]-1,2,5-oxadiazole-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 7092-1235
4-amino-N-[2-(benzylamino)ethyl]-1,2,5-oxadiazole-3-carboxamide

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

7092-1235

Molecular Formula

C12H15N5O2 (C12 H15 N5 O2)

Compound Name

4-amino-N-[2-(benzylamino)ethyl]-1,2,5-oxadiazole-3-carboxamide

IUPAC name

4-amino-N-[2-(benzylamino)ethyl]-125-oxadiazole-3-carboxamide

SMILES

Nc1nonc1C(NCCNCc1ccccc1)=O

InChI

InChI=1S/C12H15N5O2/c13-11-10(16-19-17-11)12(18)15-7-6-14-8-9-4-2-1-3-5-9/h1-5,14H,6-8H2,(H2,13,17)(H,15,18)

InChI Key

AEFUQVWXUJNBNO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05134762

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

261.28

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

4.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

0.276

Distribution Coefficient, logD

-0.761

Water Solubility, LogSw

-1.49

Polar Surface Area

93.457

Acid Dissociation Constant (pKa)

14.03

Base Dissociation Constant (pKb)

8.40

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

7092-1235 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Dark Chemical Matter Library (18430 compounds)

NOTUM (Wnt signaling) Library (3881 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
  • Pool

References: we are preparing a list of scientific research reports with 7092-1235 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 7092-1235?
Check Price and Availability of 7092-1235, 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 7092-1235 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 7092-1235
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 7092-1235
  • 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 7092-1235 available by request