4281-0225 Screening compound: 2-[2-(4-amino-1,2,5-oxadiazol-3-yl)-1H-1,3-benzodiazol-1-yl]-N-benzylacetamide

4281-0225 Screening compound: 2-[2-(4-amino-1,2,5-oxadiazol-3-yl)-1H-1,3-benzodiazol-1-yl]-N-benzylacetamide
4281-0225 Screening compound: 2-[2-(4-amino-1,2,5-oxadiazol-3-yl)-1H-1,3-benzodiazol-1-yl]-N-benzylacetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 4281-0225
2-[2-(4-amino-1,2,5-oxadiazol-3-yl)-1H-1,3-benzodiazol-1-yl]-N-benzylacetamide

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

4281-0225

Molecular Formula

C18H16N6O2 (C18 H16 N6 O2)

Compound Name

2-[2-(4-amino-1,2,5-oxadiazol-3-yl)-1H-1,3-benzodiazol-1-yl]-N-benzylacetamide

IUPAC name

2-[2-(4-amino-125-oxadiazol-3-yl)-1H-13-benzodiazol-1-yl]-N-benzylacetamide

SMILES

Nc1nonc1-c1nc(cccc2)c2n1CC(NCc1ccccc1)=O

InChI

InChI=1S/C18H16N6O2/c19-17-16(22-26-23-17)18-21-13-8-4-5-9-14(13)24(18)11-15(25)20-10-12-6-2-1-3-7-12/h1-9H,10-11H2,(H2,19,23)(H,20,25)

InChI Key

OPDFZUIKYOVRAM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03042688

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

348.36

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.765

Distribution Coefficient, logD

2.761

Water Solubility, LogSw

-3.00

Polar Surface Area

91.452

Acid Dissociation Constant (pKa)

12.92

Base Dissociation Constant (pKb)

5.36

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

11.10

4281-0225 in Drug Discovery

Included in Screening Libraries

Antimitotic Tubulin Library (17355 compounds)

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

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Male
  • Female
  • Hemic and lymphatic
  • Skin

References: we are preparing a list of scientific research reports with 4281-0225 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4281-0225?
Check Price and Availability of 4281-0225, 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 4281-0225 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4281-0225
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4281-0225
  • 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 4281-0225 available by request