G791-1095 Screening compound: N-[(4-ethylphenyl)methyl]-2-(4-fluorobenzenesulfonyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide

G791-1095 Screening compound: N-[(4-ethylphenyl)methyl]-2-(4-fluorobenzenesulfonyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
G791-1095 Screening compound: N-[(4-ethylphenyl)methyl]-2-(4-fluorobenzenesulfonyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G791-1095
N-[(4-ethylphenyl)methyl]-2-(4-fluorobenzenesulfonyl)-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

G791-1095

Molecular Formula

C25H25FN2O3S (C25 H25 FN2 O3 S)

Compound Name

N-[(4-ethylphenyl)methyl]-2-(4-fluorobenzenesulfonyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide

IUPAC name

N-[(4-ethylphenyl)methyl]-2-(4-fluorobenzenesulfonyl)-1234-tetrahydroisoquinoline-3-carboxamide

SMILES

CCc1ccc(CNC(C(Cc2c(C3)cccc2)N3S(c(cc2)ccc2F)(=O)=O)=O)cc1

InChI

InChI=1S/C25H25FN2O3S/c1-2-18-7-9-19(10-8-18)16-27-25(29)24-15-20-5-3-4-6-21(20)17-28(24)32(30,31)23-13-11-22(26)12-14-23/h3-14,24H,2,15-17H2,1H3,(H,27,29)/t24-/m0/s1

InChI Key

ZKCBHGUSMMOGAB-DEOSSOPVSA-N

MDL Number (MFCD)

MFCD27158373

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

452.55

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.890

Distribution Coefficient, logD

4.889

Water Solubility, LogSw

-4.51

Polar Surface Area

56.495

Acid Dissociation Constant (pKa)

10.51

Base Dissociation Constant (pKb)

-3.18

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

24.00

G791-1095 in Drug Discovery

Included in Screening Libraries

Cardiovascular Library (22201 compounds)

Nonpeptide Peptidomimetics PPI Library (18997 compounds)

Protein-Protein Interaction Library (218420 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cardiovascular
Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with G791-1095 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G791-1095?
Check Price and Availability of G791-1095, 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 G791-1095 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G791-1095
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G791-1095
  • 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 G791-1095 available by request