G817-0030 Screening compound: 3-(trifluoromethyl)phenyl 6,7-dimethoxy-2-(4-methoxyphenyl)-1-oxo-1,2-dihydroisoquinoline-4-carboxylate

G817-0030 Screening compound: 3-(trifluoromethyl)phenyl 6,7-dimethoxy-2-(4-methoxyphenyl)-1-oxo-1,2-dihydroisoquinoline-4-carboxylate
G817-0030 Screening compound: 3-(trifluoromethyl)phenyl 6,7-dimethoxy-2-(4-methoxyphenyl)-1-oxo-1,2-dihydroisoquinoline-4-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound G817-0030
3-(trifluoromethyl)phenyl 6,7-dimethoxy-2-(4-methoxyphenyl)-1-oxo-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

G817-0030

Molecular Formula

C26H20F3NO6 (C26 H20 F3 NO6)

Compound Name

3-(trifluoromethyl)phenyl 6,7-dimethoxy-2-(4-methoxyphenyl)-1-oxo-1,2-dihydroisoquinoline-4-carboxylate

IUPAC name

3-(trifluoromethyl)phenyl 67-dimethoxy-2-(4-methoxyphenyl)-1-oxo-12-dihydroisoquinoline-4-carboxylate

SMILES

COc(cc1)ccc1N(C=C(C(Oc1cccc(C(F)(F)F)c1)=O)c(cc1OC)c2cc1OC)C2=O

InChI

InChI=1S/C26H20F3NO6/c1-33-17-9-7-16(8-10-17)30-14-21(19-12-22(34-2)23(35-3)13-20(19)24(30)31)25(32)36-18-6-4-5-15(11-18)26(27,28)29/h4-14H,1-3H3

InChI Key

OBVZZLQGEOMSKW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27163033

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

499.44

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.640

Distribution Coefficient, logD

4.640

Water Solubility, LogSw

-4.73

Polar Surface Area

58.937

Acid Dissociation Constant (pKa)

33.29

Base Dissociation Constant (pKb)

-3.66

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.40

G817-0030 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • Phosphatases

References: we are preparing a list of scientific research reports with G817-0030 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G817-0030?
Check Price and Availability of G817-0030, 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 G817-0030 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G817-0030
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G817-0030
  • 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 G817-0030 available by request