D048-0016 Screening compound: N-(2,5-DIMETHOXYPHENYL)-2-(4-FLUOROBENZENESULFONYL)-1,2,3,4-TETRAHYDROISOQUINOLINE-3-CARBOXAMIDE

D048-0016 Screening compound: N-(2,5-DIMETHOXYPHENYL)-2-(4-FLUOROBENZENESULFONYL)-1,2,3,4-TETRAHYDROISOQUINOLINE-3-CARBOXAMIDE
D048-0016 Screening compound: N-(2,5-DIMETHOXYPHENYL)-2-(4-FLUOROBENZENESULFONYL)-1,2,3,4-TETRAHYDROISOQUINOLINE-3-CARBOXAMIDE alternative view

Chemical Structure Depiction of ChemDiv screening compound D048-0016
N-(2,5-DIMETHOXYPHENYL)-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

D048-0016

Molecular Formula

C24H23FN2O5S (C24 H23 FN2 O5 S)

Compound Name

N-(2,5-DIMETHOXYPHENYL)-2-(4-FLUOROBENZENESULFONYL)-1,2,3,4-TETRAHYDROISOQUINOLINE-3-CARBOXAMIDE

IUPAC name

n/a

SMILES

COc(cc1)cc(NC(C(Cc2c(C3)cccc2)N3S(c(cc2)ccc2F)(=O)=O)=O)c1OC

InChI

InChI=1S/C24H23FN2O5S/c1-31-19-9-12-23(32-2)21(14-19)26-24(28)22-13-16-5-3-4-6-17(16)15-27(22)33(29,30)20-10-7-18(25)8-11-20/h3-12,14,22H,13,15H2,1-2H3,(H,26,28)/t22-/m0/s1

InChI Key

MVVOWILEERKCRG-QFIPXVFZSA-N

MDL Number (MFCD)

MFCD03653365

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

470.52

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.340

Distribution Coefficient, logD

4.125

Water Solubility, LogSw

-4.33

Polar Surface Area

69.650

Acid Dissociation Constant (pKa)

7.59

Base Dissociation Constant (pKb)

-0.75

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

20.80

D048-0016 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 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 D048-0016 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D048-0016?
Check Price and Availability of D048-0016, 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 D048-0016 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D048-0016
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D048-0016
  • 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 D048-0016 available by request