8016-6653 Screening compound: N-(2-cyano-4,5-diethoxyphenyl)-2-[5-(4-methylphenyl)-2H-1,2,3,4-tetrazol-2-yl]acetamide

8016-6653 Screening compound: N-(2-cyano-4,5-diethoxyphenyl)-2-[5-(4-methylphenyl)-2H-1,2,3,4-tetrazol-2-yl]acetamide
8016-6653 Screening compound: N-(2-cyano-4,5-diethoxyphenyl)-2-[5-(4-methylphenyl)-2H-1,2,3,4-tetrazol-2-yl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8016-6653
N-(2-cyano-4,5-diethoxyphenyl)-2-[5-(4-methylphenyl)-2H-1,2,3,4-tetrazol-2-yl]acetamide

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

8016-6653

Molecular Formula

C21H22N6O3 (C21 H22 N6 O3)

Compound Name

N-(2-cyano-4,5-diethoxyphenyl)-2-[5-(4-methylphenyl)-2H-1,2,3,4-tetrazol-2-yl]acetamide

IUPAC name

N-(2-cyano-45-diethoxyphenyl)-2-[5-(4-methylphenyl)-2H-1234-tetrazol-2-yl]acetamide

SMILES

CCOc(c(OCC)c1)cc(C#N)c1NC(Cn1nnc(-c2ccc(C)cc2)n1)=O

InChI

InChI=1S/C21H22N6O3/c1-4-29-18-10-16(12-22)17(11-19(18)30-5-2)23-20(28)13-27-25-21(24-26-27)15-8-6-14(3)7-9-15/h6-11H,4-5,13H2,1-3H3,(H,23,28)

InChI Key

YSZRJUIYOLINSN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05858176

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

406.44

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

2.608

Distribution Coefficient, logD

2.598

Water Solubility, LogSw

-3.09

Polar Surface Area

92.270

Acid Dissociation Constant (pKa)

9.04

Base Dissociation Constant (pKb)

-1.21

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

28.57

8016-6653 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Antifungal Library (16415 compounds)

Antiviral Annotated Library (21441 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
Therapeutical areas:
  • Infections
  • Immune system
  • animal
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 8016-6653 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8016-6653?
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What is the minimum amount of 8016-6653 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8016-6653
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8016-6653
  • 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 8016-6653 available by request