G817-1435 Screening compound: 3-(trifluoromethyl)phenyl 1-oxo-2-phenyl-1,2-dihydroisoquinoline-4-carboxylate

G817-1435 Screening compound: 3-(trifluoromethyl)phenyl 1-oxo-2-phenyl-1,2-dihydroisoquinoline-4-carboxylate
G817-1435 Screening compound: 3-(trifluoromethyl)phenyl 1-oxo-2-phenyl-1,2-dihydroisoquinoline-4-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound G817-1435
3-(trifluoromethyl)phenyl 1-oxo-2-phenyl-1,2-dihydroisoquinoline-4-carboxylate

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

G817-1435

Molecular Formula

C23H14F3NO3 (C23 H14 F3 NO3)

Compound Name

3-(trifluoromethyl)phenyl 1-oxo-2-phenyl-1,2-dihydroisoquinoline-4-carboxylate

IUPAC name

3-(trifluoromethyl)phenyl 1-oxo-2-phenyl-12-dihydroisoquinoline-4-carboxylate

SMILES

O=C(C(c1c2cccc1)=CN(c1ccccc1)C2=O)Oc1cccc(C(F)(F)F)c1

InChI

InChI=1S/C23H14F3NO3/c24-23(25,26)15-7-6-10-17(13-15)30-22(29)20-14-27(16-8-2-1-3-9-16)21(28)19-12-5-4-11-18(19)20/h1-14H

InChI Key

HPHSGAWCLDAJIR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27163117

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

409.36

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.302

Distribution Coefficient, logD

4.302

Water Solubility, LogSw

-4.63

Polar Surface Area

36.132

Acid Dissociation Constant (pKa)

14.00

Base Dissociation Constant (pKb)

-4.15

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

4.30

G817-1435 in Drug Discovery

Included in Screening Libraries

Angiogenesis library (14822 compounds)

Anticancer Library (62698 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Cancer

References: we are preparing a list of scientific research reports with G817-1435 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G817-1435?
Check Price and Availability of G817-1435, 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 G817-1435 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G817-1435
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G817-1435
  • 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 G817-1435 available by request