8020-0809 Screening compound: phenyl[2-(trifluoromethyl)-1H-1,3-benzimidazol-6-yl]methanone

8020-0809 Screening compound: phenyl[2-(trifluoromethyl)-1H-1,3-benzimidazol-6-yl]methanone
8020-0809 Screening compound: phenyl[2-(trifluoromethyl)-1H-1,3-benzimidazol-6-yl]methanone alternative view

Chemical Structure Depiction of ChemDiv screening compound 8020-0809
phenyl[2-(trifluoromethyl)-1H-1,3-benzimidazol-6-yl]methanone

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

8020-0809

Molecular Formula

C15H9F3N2O (C15 H9 F3 N2 O)

Compound Name

phenyl[2-(trifluoromethyl)-1H-1,3-benzimidazol-6-yl]methanone

IUPAC name

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

SMILES

O=C(c1ccccc1)c(cc1)cc2c1nc(C(F)(F)F)[nH]2

InChI

InChI=1S/C15H9F3N2O/c16-15(17,18)14-19-11-7-6-10(8-12(11)20-14)13(21)9-4-2-1-3-5-9/h1-8H,(H,19,20)

InChI Key

PRRJCRTZIOAXCP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD12034893

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

290.24

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

3.817

Distribution Coefficient, logD

3.725

Water Solubility, LogSw

-4.29

Polar Surface Area

32.997

Acid Dissociation Constant (pKa)

9.08

Base Dissociation Constant (pKb)

-2.59

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

6.67

8020-0809 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D

References: we are preparing a list of scientific research reports with 8020-0809 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8020-0809?
Check Price and Availability of 8020-0809, 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 8020-0809 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8020-0809
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8020-0809
  • 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 8020-0809 available by request