D011-3558 Screening compound: 1-[(2-methylphenyl)methyl]-2-(trifluoromethyl)-1H-1,3-benzodiazole

D011-3558 Screening compound: 1-[(2-methylphenyl)methyl]-2-(trifluoromethyl)-1H-1,3-benzodiazole
D011-3558 Screening compound: 1-[(2-methylphenyl)methyl]-2-(trifluoromethyl)-1H-1,3-benzodiazole alternative view

Chemical Structure Depiction of ChemDiv screening compound D011-3558
1-[(2-methylphenyl)methyl]-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

D011-3558

Molecular Formula

C16H13F3N2 (C16 H13 F3 N2)

Compound Name

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

IUPAC name

1-[(2-methylphenyl)methyl]-2-(trifluoromethyl)-1H-13-benzodiazole

SMILES

Cc1c(Cn2c(cccc3)c3nc2C(F)(F)F)cccc1

InChI

InChI=1S/C16H13F3N2/c1-11-6-2-3-7-12(11)10-21-14-9-5-4-8-13(14)20-15(21)16(17,18)19/h2-9H,10H2,1H3

InChI Key

MQMWPJVIKLNRCJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02102651

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

3.00

Number of Nitrogen and Oxygen Atoms

2

Partition Coefficient, logP

5.188

Distribution Coefficient, logD

5.188

Water Solubility, LogSw

-5.26

Polar Surface Area

10.167

Acid Dissociation Constant (pKa)

22.24

Base Dissociation Constant (pKb)

1.52

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

18.80

D011-3558 in Drug Discovery

Included in Screening Libraries

Anti-Aging Library (44940 compounds)

Anti-infective Library (19449 compounds)

Antiparasite Library (23996 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with D011-3558 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D011-3558?
Check Price and Availability of D011-3558, 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 D011-3558 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D011-3558
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D011-3558
  • 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 D011-3558 available by request