8016-6577 Screening compound: 1-phenethyl-2-(trifluoromethyl)-1H-1,3-benzimidazole

8016-6577 Screening compound: 1-phenethyl-2-(trifluoromethyl)-1H-1,3-benzimidazole
8016-6577 Screening compound: 1-phenethyl-2-(trifluoromethyl)-1H-1,3-benzimidazole alternative view

Chemical Structure Depiction of ChemDiv screening compound 8016-6577
1-phenethyl-2-(trifluoromethyl)-1H-1,3-benzimidazole

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

8016-6577

Molecular Formula

C16H13F3N2 (C16 H13 F3 N2)

Compound Name

1-phenethyl-2-(trifluoromethyl)-1H-1,3-benzimidazole

IUPAC name

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

SMILES

FC(c1nc(cccc2)c2n1CCc1ccccc1)(F)F

InChI

InChI=1S/C16H13F3N2/c17-16(18,19)15-20-13-8-4-5-9-14(13)21(15)11-10-12-6-2-1-3-7-12/h1-9H,10-11H2

InChI Key

SHEHVQIKGLXMEN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04334575

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

290.29

Hydrogen Bond Acceptors Count

1.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

2

Partition Coefficient, logP

4.572

Distribution Coefficient, logD

4.572

Water Solubility, LogSw

-4.60

Polar Surface Area

10.145

Acid Dissociation Constant (pKa)

23.27

Base Dissociation Constant (pKb)

-0.09

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

18.75

8016-6577 in Drug Discovery

Included in Screening Libraries

Anti-infective Library (19449 compounds)

Antiparasite Library (23996 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Infections
  • Immune system
  • animal
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 8016-6577 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8016-6577?
Check Price and Availability of 8016-6577, 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 8016-6577 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8016-6577
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8016-6577
  • 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 8016-6577 available by request