0342-0080 Screening compound: 2-(trifluoromethyl)-1H-1,3-benzodiazole

0342-0080 Screening compound: 2-(trifluoromethyl)-1H-1,3-benzodiazole
0342-0080 Screening compound: 2-(trifluoromethyl)-1H-1,3-benzodiazole alternative view

Chemical Structure Depiction of ChemDiv screening compound 0342-0080
2-(trifluoromethyl)-1H-1,3-benzodiazole

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

0342-0080

Molecular Formula

C8H5F3N2 (C8 H5 F3 N2)

Compound Name

2-(trifluoromethyl)-1H-1,3-benzodiazole

IUPAC name

2-(trifluoromethyl)-1H-13-benzodiazole

SMILES

FC(c1nc(cccc2)c2[nH]1)(F)F

InChI

InChI=1S/C8H5F3N2/c9-8(10,11)7-12-5-3-1-2-4-6(5)13-7/h1-4H,(H,12,13)

InChI Key

MXFMPTXDHSDMTI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00022675

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

186.14

Hydrogen Bond Acceptors Count

1.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

1.00

Number of Nitrogen and Oxygen Atoms

2

Partition Coefficient, logP

2.289

Distribution Coefficient, logD

2.223

Water Solubility, LogSw

-2.29

Polar Surface Area

19.529

Acid Dissociation Constant (pKa)

9.76

Base Dissociation Constant (pKb)

1.08

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

12.50

0342-0080 in Drug Discovery

Included in Screening Libraries

Fragments Library (11262 compounds)

Frequent Hitters Library (7624 compounds)

Akt-Targeted Library (14764 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Structure:
  • Fragments
  • Pool
Therapeutical areas:
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Targets:
  • Kinases
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 0342-0080 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0342-0080?
Check Price and Availability of 0342-0080, 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 0342-0080 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0342-0080
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0342-0080
  • 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 0342-0080 available by request