8016-8895 Screening compound: 2-[5-(4-chlorophenyl)-2H-1,2,3,4-tetrazol-2-yl]-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide

8016-8895 Screening compound: 2-[5-(4-chlorophenyl)-2H-1,2,3,4-tetrazol-2-yl]-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide
8016-8895 Screening compound: 2-[5-(4-chlorophenyl)-2H-1,2,3,4-tetrazol-2-yl]-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8016-8895
2-[5-(4-chlorophenyl)-2H-1,2,3,4-tetrazol-2-yl]-N-[2-(3,4-dimethoxyphenyl)ethyl]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

8016-8895

Molecular Formula

C19H20ClN5O3 (C19 H20 ClN5 O3)

Compound Name

2-[5-(4-chlorophenyl)-2H-1,2,3,4-tetrazol-2-yl]-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide

IUPAC name

2-[5-(4-chlorophenyl)-2H-1234-tetrazol-2-yl]-N-[2-(34-dimethoxyphenyl)ethyl]acetamide

SMILES

COc(ccc(CCNC(Cn1nnc(-c(cc2)ccc2Cl)n1)=O)c1)c1OC

InChI

InChI=1S/C19H20ClN5O3/c1-27-16-8-3-13(11-17(16)28-2)9-10-21-18(26)12-25-23-19(22-24-25)14-4-6-15(20)7-5-14/h3-8,11H,9-10,12H2,1-2H3,(H,21,26)

InChI Key

ISKYFWJNSNZFDT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05860037

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

401.85

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.263

Distribution Coefficient, logD

2.263

Water Solubility, LogSw

-3.55

Polar Surface Area

77.915

Acid Dissociation Constant (pKa)

14.94

Base Dissociation Constant (pKb)

3.26

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

26.30

8016-8895 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Human Proteases Annotated Library (2868 compounds)

Selective Target Activity Profiling Library (14702 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 8016-8895 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8016-8895?
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What is the minimum amount of 8016-8895 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8016-8895
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8016-8895
  • 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 8016-8895 available by request