3643-1801 Screening compound: (2E)-2-(1-ethyl-1H-1,3-benzodiazol-2-yl)-3-[2-(trifluoromethyl)phenyl]prop-2-enenitrile

3643-1801 Screening compound: (2E)-2-(1-ethyl-1H-1,3-benzodiazol-2-yl)-3-[2-(trifluoromethyl)phenyl]prop-2-enenitrile
3643-1801 Screening compound: (2E)-2-(1-ethyl-1H-1,3-benzodiazol-2-yl)-3-[2-(trifluoromethyl)phenyl]prop-2-enenitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound 3643-1801
(2E)-2-(1-ethyl-1H-1,3-benzodiazol-2-yl)-3-[2-(trifluoromethyl)phenyl]prop-2-enenitrile

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

3643-1801

Molecular Formula

C19H14F3N3 (C19 H14 F3 N3)

Compound Name

(2E)-2-(1-ethyl-1H-1,3-benzodiazol-2-yl)-3-[2-(trifluoromethyl)phenyl]prop-2-enenitrile

IUPAC name

(2E)-2-(1-ethyl-1H-13-benzodiazol-2-yl)-3-[2-(trifluoromethyl)phenyl]prop-2-enenitrile

SMILES

CCn1c(/C(/C#N)=C/c2c(C(F)(F)F)cccc2)nc2c1cccc2

InChI

InChI=1S/C19H14F3N3/c1-2-25-17-10-6-5-9-16(17)24-18(25)14(12-23)11-13-7-3-4-8-15(13)19(20,21)22/h3-11H,2H2,1H3

InChI Key

QDTVHAUKKFVXCF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02350305

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

341.34

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

5.169

Distribution Coefficient, logD

5.169

Water Solubility, LogSw

-5.28

Polar Surface Area

26.948

Acid Dissociation Constant (pKa)

23.32

Base Dissociation Constant (pKb)

1.80

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.80

References: we are preparing a list of scientific research reports with 3643-1801 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3643-1801?
Check Price and Availability of 3643-1801, 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 3643-1801 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3643-1801
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3643-1801
  • 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 3643-1801 available by request