8012-5815 Screening compound: 2-[3-(trifluoromethyl)phenyl]-1H-1,3-benzodiazole

8012-5815 Screening compound: 2-[3-(trifluoromethyl)phenyl]-1H-1,3-benzodiazole
8012-5815 Screening compound: 2-[3-(trifluoromethyl)phenyl]-1H-1,3-benzodiazole alternative view

Chemical Structure Depiction of ChemDiv screening compound 8012-5815
2-[3-(trifluoromethyl)phenyl]-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

8012-5815

Molecular Formula

C14H9F3N2 (C14 H9 F3 N2)

Compound Name

2-[3-(trifluoromethyl)phenyl]-1H-1,3-benzodiazole

IUPAC name

2-[3-(trifluoromethyl)phenyl]-1H-13-benzodiazole

SMILES

FC(c1cc(-c2nc(cccc3)c3[nH]2)ccc1)(F)F

InChI

InChI=1S/C14H9F3N2/c15-14(16,17)10-5-3-4-9(8-10)13-18-11-6-1-2-7-12(11)19-13/h1-8H,(H,18,19)

InChI Key

SPOLNBHTSVLAJW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02656543

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

262.23

Hydrogen Bond Acceptors Count

1.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

2

Partition Coefficient, logP

4.365

Distribution Coefficient, logD

4.365

Water Solubility, LogSw

-4.70

Polar Surface Area

19.258

Acid Dissociation Constant (pKa)

10.22

Base Dissociation Constant (pKb)

4.03

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

7.10

8012-5815 in Drug Discovery

Included in Screening Libraries

Anti-Aging Library (44940 compounds)

CNS Targets (44014 compounds)

Ion Channels Focused Library (26372 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Metabolic
  • Immune system
  • Nervous system
  • Nervous system
  • Cardiovascular
Mechanism of action:
  • Epigenetic
Targets:
  • Ion Channels

References: we are preparing a list of scientific research reports with 8012-5815 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8012-5815?
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What is the minimum amount of 8012-5815 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8012-5815
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8012-5815
  • 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 8012-5815 available by request