3158-0616 Screening compound: N-[2-(4-ethoxyphenyl)-2H-1,2,3-benzotriazol-5-yl]-2-phenoxyacetamide

3158-0616 Screening compound: N-[2-(4-ethoxyphenyl)-2H-1,2,3-benzotriazol-5-yl]-2-phenoxyacetamide
3158-0616 Screening compound: N-[2-(4-ethoxyphenyl)-2H-1,2,3-benzotriazol-5-yl]-2-phenoxyacetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 3158-0616
N-[2-(4-ethoxyphenyl)-2H-1,2,3-benzotriazol-5-yl]-2-phenoxyacetamide

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

3158-0616

Molecular Formula

C22H20N4O3 (C22 H20 N4 O3)

Compound Name

N-[2-(4-ethoxyphenyl)-2H-1,2,3-benzotriazol-5-yl]-2-phenoxyacetamide

IUPAC name

N-[2-(4-ethoxyphenyl)-2H-123-benzotriazol-5-yl]-2-phenoxyacetamide

SMILES

CCOc(cc1)ccc1-n1nc(cc(cc2)NC(COc3ccccc3)=O)c2n1

InChI

InChI=1S/C22H20N4O3/c1-2-28-19-11-9-17(10-12-19)26-24-20-13-8-16(14-21(20)25-26)23-22(27)15-29-18-6-4-3-5-7-18/h3-14H,2,15H2,1H3,(H,23,27)

InChI Key

KZBDBAVOUCZWML-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01823468

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

388.43

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.670

Distribution Coefficient, logD

4.669

Water Solubility, LogSw

-4.35

Polar Surface Area

61.773

Acid Dissociation Constant (pKa)

10.32

Base Dissociation Constant (pKb)

0.97

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

13.60

3158-0616 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Human GPCR Annotated Library (5539 compounds)

Selective Target Activity Profiling Library (14702 compounds)

Therapeutical Diversity Annotated Library (7563 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

References: we are preparing a list of scientific research reports with 3158-0616 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3158-0616?
Check Price and Availability of 3158-0616, 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 3158-0616 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3158-0616
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3158-0616
  • 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 3158-0616 available by request