6404-0264 Screening compound: N-benzyl-2-(3,4-dimethoxybenzenesulfonyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide

6404-0264 Screening compound: N-benzyl-2-(3,4-dimethoxybenzenesulfonyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
6404-0264 Screening compound: N-benzyl-2-(3,4-dimethoxybenzenesulfonyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 6404-0264
N-benzyl-2-(3,4-dimethoxybenzenesulfonyl)-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

6404-0264

Molecular Formula

C25H26N2O5S (C25 H26 N2 O5 S)

Compound Name

N-benzyl-2-(3,4-dimethoxybenzenesulfonyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide

IUPAC name

N-benzyl-2-(34-dimethoxybenzenesulfonyl)-1234-tetrahydroisoquinoline-3-carboxamide

SMILES

COc(ccc(S(N(Cc1c(C2)cccc1)C2C(NCc1ccccc1)=O)(=O)=O)c1)c1OC

InChI

InChI=1S/C25H26N2O5S/c1-31-23-13-12-21(15-24(23)32-2)33(29,30)27-17-20-11-7-6-10-19(20)14-22(27)25(28)26-16-18-8-4-3-5-9-18/h3-13,15,22H,14,16-17H2,1-2H3,(H,26,28)/t22-/m0/s1

InChI Key

WDVQXUMLSKADQQ-QFIPXVFZSA-N

MDL Number (MFCD)

MFCD04215281

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

466.56

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.536

Distribution Coefficient, logD

3.536

Water Solubility, LogSw

-3.79

Polar Surface Area

71.756

Acid Dissociation Constant (pKa)

10.51

Base Dissociation Constant (pKb)

-3.89

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

24.00

6404-0264 in Drug Discovery

Included in Screening Libraries

3CLpro Library (4801 compounds)

CORONAVIRUS Library (20774 compounds)

Integrin Receptors Targeted library (1715 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Antiviral
  • Infections
  • Immune system
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Nervous system
  • Hemic and lymphatic
  • Cardiovascular
  • Immune system
Targets:
  • Others

References: we are preparing a list of scientific research reports with 6404-0264 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6404-0264?
Check Price and Availability of 6404-0264, 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 6404-0264 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6404-0264
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6404-0264
  • 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 6404-0264 available by request