8011-6939 Screening compound: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(5-phenyl-2H-1,2,3,4-tetrazol-2-yl)propanamide

8011-6939 Screening compound: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(5-phenyl-2H-1,2,3,4-tetrazol-2-yl)propanamide
8011-6939 Screening compound: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(5-phenyl-2H-1,2,3,4-tetrazol-2-yl)propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8011-6939
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(5-phenyl-2H-1,2,3,4-tetrazol-2-yl)propanamide

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

8011-6939

Molecular Formula

C18H17N5O3 (C18 H17 N5 O3)

Compound Name

N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(5-phenyl-2H-1,2,3,4-tetrazol-2-yl)propanamide

IUPAC name

N-(23-dihydro-14-benzodioxin-6-yl)-2-(5-phenyl-2H-1234-tetrazol-2-yl)propanamide

SMILES

CC(C(Nc(cc1)cc2c1OCCO2)=O)n1nnc(-c2ccccc2)n1

InChI

InChI=1S/C18H17N5O3/c1-12(23-21-17(20-22-23)13-5-3-2-4-6-13)18(24)19-14-7-8-15-16(11-14)26-10-9-25-15/h2-8,11-12H,9-10H2,1H3,(H,19,24)/t12-/m0/s1

InChI Key

LHBZGUKAEYXQSX-LBPRGKRZSA-N

MDL Number (MFCD)

MFCD02736260

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

351.36

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

1.489

Distribution Coefficient, logD

1.489

Water Solubility, LogSw

-2.11

Polar Surface Area

77.009

Acid Dissociation Constant (pKa)

11.52

Base Dissociation Constant (pKb)

2.06

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

22.22

8011-6939 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Antifungal Library (16415 compounds)

Antiparasite Library (23996 compounds)

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

Dark Chemical Matter Library (18430 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
  • Pool
Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Infections
  • Immune system
  • animal
Agro:
  • Agro
  • Agro

References: we are preparing a list of scientific research reports with 8011-6939 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8011-6939?
Check Price and Availability of 8011-6939, 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 8011-6939 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8011-6939
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8011-6939
  • 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 8011-6939 available by request