G791-0804 Screening compound: 2-(4-methylbenzenesulfonyl)-N-[2-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide

G791-0804 Screening compound: 2-(4-methylbenzenesulfonyl)-N-[2-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
G791-0804 Screening compound: 2-(4-methylbenzenesulfonyl)-N-[2-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G791-0804
2-(4-methylbenzenesulfonyl)-N-[2-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide

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

G791-0804

Molecular Formula

C24H21F3N2O3S (C24 H21 F3 N2 O3 S)

Compound Name

2-(4-methylbenzenesulfonyl)-N-[2-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide

IUPAC name

2-(4-methylbenzenesulfonyl)-N-[2-(trifluoromethyl)phenyl]-1234-tetrahydroisoquinoline-3-carboxamide

SMILES

Cc(cc1)ccc1S(N(Cc1c(C2)cccc1)C2C(Nc1c(C(F)(F)F)cccc1)=O)(=O)=O

InChI

InChI=1S/C24H21F3N2O3S/c1-16-10-12-19(13-11-16)33(31,32)29-15-18-7-3-2-6-17(18)14-22(29)23(30)28-21-9-5-4-8-20(21)24(25,26)27/h2-13,22H,14-15H2,1H3,(H,28,30)/t22-/m0/s1

InChI Key

GPRBVTXYHOZJDV-QFIPXVFZSA-N

MDL Number (MFCD)

MFCD27158328

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

474.5

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.567

Distribution Coefficient, logD

5.565

Water Solubility, LogSw

-5.40

Polar Surface Area

54.476

Acid Dissociation Constant (pKa)

9.78

Base Dissociation Constant (pKb)

-2.69

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

20.80

G791-0804 in Drug Discovery

Included in Screening Libraries

Antiviral HBV Library (10007 compounds)

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

Nonpeptide Peptidomimetics PPI Library (18997 compounds)

Protein-Protein Interaction Library (218420 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with G791-0804 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G791-0804?
Check Price and Availability of G791-0804, 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 G791-0804 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G791-0804
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G791-0804
  • 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 G791-0804 available by request