8257-0090 Screening compound: N-(2,5-dichlorophenyl)-2-(4-methoxybenzenesulfonyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide

8257-0090 Screening compound: N-(2,5-dichlorophenyl)-2-(4-methoxybenzenesulfonyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
8257-0090 Screening compound: N-(2,5-dichlorophenyl)-2-(4-methoxybenzenesulfonyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8257-0090
N-(2,5-dichlorophenyl)-2-(4-methoxybenzenesulfonyl)-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

8257-0090

Molecular Formula

C23H20Cl2N2O4S (C23 H20 Cl2 N2 O4 S)

Compound Name

N-(2,5-dichlorophenyl)-2-(4-methoxybenzenesulfonyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide

IUPAC name

N-(25-dichlorophenyl)-2-(4-methoxybenzenesulfonyl)-1234-tetrahydroisoquinoline-3-carboxamide

SMILES

COc(cc1)ccc1S(N(Cc1c(C2)cccc1)C2C(Nc(cc(cc1)Cl)c1Cl)=O)(=O)=O

InChI

InChI=1S/C23H20Cl2N2O4S/c1-31-18-7-9-19(10-8-18)32(29,30)27-14-16-5-3-2-4-15(16)12-22(27)23(28)26-21-13-17(24)6-11-20(21)25/h2-11,13,22H,12,14H2,1H3,(H,26,28)/t22-/m0/s1

InChI Key

QYZVPJDYZBKKBN-QFIPXVFZSA-N

MDL Number (MFCD)

MFCD08548454

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

491.39

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.468

Distribution Coefficient, logD

4.292

Water Solubility, LogSw

-5.91

Polar Surface Area

62.019

Acid Dissociation Constant (pKa)

6.25

Base Dissociation Constant (pKb)

-4.14

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

17.40

8257-0090 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D

References: we are preparing a list of scientific research reports with 8257-0090 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8257-0090?
Check Price and Availability of 8257-0090, 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 8257-0090 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8257-0090
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8257-0090
  • 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 8257-0090 available by request