8016-9294 Screening compound: N-(2H-1,3-benzodioxol-5-yl)-2-{5-[3-(trifluoromethyl)phenyl]-2H-1,2,3,4-tetrazol-2-yl}acetamide

8016-9294 Screening compound: N-(2H-1,3-benzodioxol-5-yl)-2-{5-[3-(trifluoromethyl)phenyl]-2H-1,2,3,4-tetrazol-2-yl}acetamide
8016-9294 Screening compound: N-(2H-1,3-benzodioxol-5-yl)-2-{5-[3-(trifluoromethyl)phenyl]-2H-1,2,3,4-tetrazol-2-yl}acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8016-9294
N-(2H-1,3-benzodioxol-5-yl)-2-{5-[3-(trifluoromethyl)phenyl]-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

8016-9294

Molecular Formula

C17H12F3N5O3 (C17 H12 F3 N5 O3)

Compound Name

N-(2H-1,3-benzodioxol-5-yl)-2-{5-[3-(trifluoromethyl)phenyl]-2H-1,2,3,4-tetrazol-2-yl}acetamide

IUPAC name

N-(2H-13-benzodioxol-5-yl)-2-{5-[3-(trifluoromethyl)phenyl]-2H-1234-tetrazol-2-yl}acetamide

SMILES

O=C(Cn1nnc(-c2cccc(C(F)(F)F)c2)n1)Nc(cc1)cc2c1OCO2

InChI

InChI=1S/C17H12F3N5O3/c18-17(19,20)11-3-1-2-10(6-11)16-22-24-25(23-16)8-15(26)21-12-4-5-13-14(7-12)28-9-27-13/h1-7H,8-9H2,(H,21,26)

InChI Key

WGYZABRDULXSDH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05335727

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

391.31

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

3.434

Distribution Coefficient, logD

3.434

Water Solubility, LogSw

-3.69

Polar Surface Area

78.606

Acid Dissociation Constant (pKa)

11.77

Base Dissociation Constant (pKb)

2.24

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

17.60

8016-9294 in Drug Discovery

Included in Screening Libraries

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with 8016-9294 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8016-9294?
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What is the minimum amount of 8016-9294 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8016-9294
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8016-9294
  • 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 8016-9294 available by request