Y205-1293 Screening compound: N~2~-[2-(trifluoromethyl)phenyl]-3,4-dihydro-2(1H)-isoquinolinecarboxamide

Y205-1293 Screening compound: N~2~-[2-(trifluoromethyl)phenyl]-3,4-dihydro-2(1H)-isoquinolinecarboxamide
Y205-1293 Screening compound: N~2~-[2-(trifluoromethyl)phenyl]-3,4-dihydro-2(1H)-isoquinolinecarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound Y205-1293
N~2~-[2-(trifluoromethyl)phenyl]-3,4-dihydro-2(1H)-isoquinolinecarboxamide

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

Y205-1293

Molecular Formula

C17H15F3N2O (C17 H15 F3 N2 O)

Compound Name

N~2~-[2-(trifluoromethyl)phenyl]-3,4-dihydro-2(1H)-isoquinolinecarboxamide

IUPAC name

N-[2-(trifluoromethyl)phenyl]-1234-tetrahydroisoquinoline-2-carboxamide

SMILES

O=C(Nc1c(C(F)(F)F)cccc1)N(CC1)Cc2c1cccc2

InChI

InChI=1S/C17H15F3N2O/c18-17(19,20)14-7-3-4-8-15(14)21-16(23)22-10-9-12-5-1-2-6-13(12)11-22/h1-8H,9-11H2,(H,21,23)

InChI Key

PXVJNCXHBTZXIQ-UHFFFAOYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

320.31

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

4.265

Distribution Coefficient, logD

4.265

Water Solubility, LogSw

-4.31

Polar Surface Area

24.672

Acid Dissociation Constant (pKa)

13.56

Base Dissociation Constant (pKb)

-1.79

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.53

Y205-1293 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with Y205-1293 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y205-1293?
Check Price and Availability of Y205-1293, 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 Y205-1293 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y205-1293
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y205-1293
  • 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 Y205-1293 available by request