G817-1852 Screening compound: (furan-2-yl)methyl 1-oxo-2-[3-(trifluoromethyl)phenyl]-1,2-dihydroisoquinoline-4-carboxylate

G817-1852 Screening compound: (furan-2-yl)methyl 1-oxo-2-[3-(trifluoromethyl)phenyl]-1,2-dihydroisoquinoline-4-carboxylate
G817-1852 Screening compound: (furan-2-yl)methyl 1-oxo-2-[3-(trifluoromethyl)phenyl]-1,2-dihydroisoquinoline-4-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound G817-1852
(furan-2-yl)methyl 1-oxo-2-[3-(trifluoromethyl)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

G817-1852

Molecular Formula

C22H14F3NO4 (C22 H14 F3 NO4)

Compound Name

(furan-2-yl)methyl 1-oxo-2-[3-(trifluoromethyl)phenyl]-1,2-dihydroisoquinoline-4-carboxylate

IUPAC name

(furan-2-yl)methyl 1-oxo-2-[3-(trifluoromethyl)phenyl]-12-dihydroisoquinoline-4-carboxylate

SMILES

O=C(C(c1c2cccc1)=CN(c1cccc(C(F)(F)F)c1)C2=O)OCc1ccco1

InChI

InChI=1S/C22H14F3NO4/c23-22(24,25)14-5-3-6-15(11-14)26-12-19(17-8-1-2-9-18(17)20(26)27)21(28)30-13-16-7-4-10-29-16/h1-12H,13H2

InChI Key

ASMLWWDUNJOPKC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27163243

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

413.35

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.968

Distribution Coefficient, logD

3.968

Water Solubility, LogSw

-4.36

Polar Surface Area

44.361

Acid Dissociation Constant (pKa)

34.70

Base Dissociation Constant (pKb)

-2.92

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

9.10

G817-1852 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system
Agro:
  • Agro

References: we are preparing a list of scientific research reports with G817-1852 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G817-1852?
Check Price and Availability of G817-1852, 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 G817-1852 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G817-1852
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G817-1852
  • 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 G817-1852 available by request