2001-0091 Screening compound: 1-(2-phenoxyethyl)-2-(trifluoromethyl)-1H-1,3-benzodiazole

2001-0091 Screening compound: 1-(2-phenoxyethyl)-2-(trifluoromethyl)-1H-1,3-benzodiazole
2001-0091 Screening compound: 1-(2-phenoxyethyl)-2-(trifluoromethyl)-1H-1,3-benzodiazole alternative view

Chemical Structure Depiction of ChemDiv screening compound 2001-0091
1-(2-phenoxyethyl)-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

2001-0091

Molecular Formula

C16H13F3N2O (C16 H13 F3 N2 O)

Compound Name

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

IUPAC name

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

SMILES

FC(c1nc(cccc2)c2n1CCOc1ccccc1)(F)F

InChI

InChI=1S/C16H13F3N2O/c17-16(18,19)15-20-13-8-4-5-9-14(13)21(15)10-11-22-12-6-2-1-3-7-12/h1-9H,10-11H2

InChI Key

NWIMGLWXRRDMGH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01141639

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

306.29

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

4.636

Distribution Coefficient, logD

4.636

Water Solubility, LogSw

-4.65

Polar Surface Area

17.563

Acid Dissociation Constant (pKa)

23.66

Base Dissociation Constant (pKb)

-0.57

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

18.80

2001-0091 in Drug Discovery

Included in Screening Libraries

Anti-Aging Library (44940 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Metabolic
  • Immune system
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with 2001-0091 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2001-0091?
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What is the minimum amount of 2001-0091 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2001-0091
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2001-0091
  • 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 2001-0091 available by request