8016-6709 Screening compound: 2-[5-(2H-1,3-benzodioxol-5-yl)-2H-1,2,3,4-tetrazol-2-yl]-N-benzylacetamide

8016-6709 Screening compound: 2-[5-(2H-1,3-benzodioxol-5-yl)-2H-1,2,3,4-tetrazol-2-yl]-N-benzylacetamide
8016-6709 Screening compound: 2-[5-(2H-1,3-benzodioxol-5-yl)-2H-1,2,3,4-tetrazol-2-yl]-N-benzylacetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8016-6709
2-[5-(2H-1,3-benzodioxol-5-yl)-2H-1,2,3,4-tetrazol-2-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

8016-6709

Molecular Formula

C17H15N5O3 (C17 H15 N5 O3)

Compound Name

2-[5-(2H-1,3-benzodioxol-5-yl)-2H-1,2,3,4-tetrazol-2-yl]-N-benzylacetamide

IUPAC name

2-[5-(2H-13-benzodioxol-5-yl)-2H-1234-tetrazol-2-yl]-N-benzylacetamide

SMILES

O=C(Cn1nnc(-c(cc2)cc3c2OCO3)n1)NCc1ccccc1

InChI

InChI=1S/C17H15N5O3/c23-16(18-9-12-4-2-1-3-5-12)10-22-20-17(19-21-22)13-6-7-14-15(8-13)25-11-24-14/h1-8H,9-11H2,(H,18,23)

InChI Key

NJGGJQFRJVCQAP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05858224

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

337.34

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.297

Distribution Coefficient, logD

2.297

Water Solubility, LogSw

-3.01

Polar Surface Area

79.929

Acid Dissociation Constant (pKa)

13.56

Base Dissociation Constant (pKb)

-1.16

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

17.65

8016-6709 in Drug Discovery

Included in Screening Libraries

Dark Chemical Matter Library (18430 compounds)

Selective Target Activity Profiling Library (14702 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool

References: we are preparing a list of scientific research reports with 8016-6709 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8016-6709?
Check Price and Availability of 8016-6709, 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 8016-6709 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8016-6709
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8016-6709
  • 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 8016-6709 available by request