D047-0032 Screening compound: 5-[4-(trifluoromethyl)phenyl]-2H-1,2,3,4-tetrazole

D047-0032 Screening compound: 5-[4-(trifluoromethyl)phenyl]-2H-1,2,3,4-tetrazole
D047-0032 Screening compound: 5-[4-(trifluoromethyl)phenyl]-2H-1,2,3,4-tetrazole alternative view

Chemical Structure Depiction of ChemDiv screening compound D047-0032
5-[4-(trifluoromethyl)phenyl]-2H-1,2,3,4-tetrazole

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

D047-0032

Molecular Formula

C8H5F3N4 (C8 H5 F3 N4)

Compound Name

5-[4-(trifluoromethyl)phenyl]-2H-1,2,3,4-tetrazole

IUPAC name

5-[4-(trifluoromethyl)phenyl]-2H-1234-tetrazole

SMILES

FC(c(cc1)ccc1-c1n[nH]nn1)(F)F

InChI

InChI=1S/C8H5F3N4/c9-8(10,11)6-3-1-5(2-4-6)7-12-14-15-13-7/h1-4H,(H,12,13,14,15)

InChI Key

CCVCHQBLMDMSNN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00052525

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

214.15

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

2.317

Distribution Coefficient, logD

-0.701

Water Solubility, LogSw

-2.42

Polar Surface Area

50.351

Acid Dissociation Constant (pKa)

4.38

Base Dissociation Constant (pKb)

-2.70

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

12.50

D047-0032 in Drug Discovery

Included in Screening Libraries

Fragments Library (11262 compounds)

New Agro Library (44492 compounds)

Receptor-type Protein Tyrosine Phosphatases Library (3746 compounds)

Included in 1.7M Stock Database

Structure:
  • Fragments
Agro:
  • Agro
Therapeutical areas:
  • Cancer
  • Digestive system
  • Nervous system
  • Female
  • Metabolic
  • Endocrine
Targets:
  • Phosphatases
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with D047-0032 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D047-0032?
Check Price and Availability of D047-0032, 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 D047-0032 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D047-0032
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D047-0032
  • 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 D047-0032 available by request