Y501-0444 Screening compound: [2-(trifluoromethyl)-1H-1,3-benzimidazol-1-yl]methyl cyanide

Y501-0444 Screening compound: [2-(trifluoromethyl)-1H-1,3-benzimidazol-1-yl]methyl cyanide
Y501-0444 Screening compound: [2-(trifluoromethyl)-1H-1,3-benzimidazol-1-yl]methyl cyanide alternative view

Chemical Structure Depiction of ChemDiv screening compound Y501-0444
[2-(trifluoromethyl)-1H-1,3-benzimidazol-1-yl]methyl cyanide

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

Y501-0444

Molecular Formula

C10H6F3N3 (C10 H6 F3 N3)

Compound Name

[2-(trifluoromethyl)-1H-1,3-benzimidazol-1-yl]methyl cyanide

IUPAC name

2-[2-(trifluoromethyl)-1H-13-benzodiazol-1-yl]acetonitrile

SMILES

N#CCn1c(cccc2)c2nc1C(F)(F)F

InChI

InChI=1S/C10H6F3N3/c11-10(12,13)9-15-7-3-1-2-4-8(7)16(9)6-5-14/h1-4H,6H2

InChI Key

FGQQPVKNHDGDEY-UHFFFAOYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

225.17

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

2.443

Distribution Coefficient, logD

2.443

Water Solubility, LogSw

-2.48

Polar Surface Area

27.909

Acid Dissociation Constant (pKa)

18.15

Base Dissociation Constant (pKb)

-0.63

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.00

References: we are preparing a list of scientific research reports with Y501-0444 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y501-0444?
Check Price and Availability of Y501-0444, 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 Y501-0444 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y501-0444
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y501-0444
  • 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 Y501-0444 available by request