8013-0559 Screening compound: N-(2,6-dichlorophenyl)-2-(4-fluorobenzenesulfonyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide

8013-0559 Screening compound: N-(2,6-dichlorophenyl)-2-(4-fluorobenzenesulfonyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
8013-0559 Screening compound: N-(2,6-dichlorophenyl)-2-(4-fluorobenzenesulfonyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8013-0559
N-(2,6-dichlorophenyl)-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

8013-0559

Molecular Formula

C22H17Cl2FN2O3S (C22 H17 Cl2 FN2 O3 S)

Compound Name

N-(2,6-dichlorophenyl)-2-(4-fluorobenzenesulfonyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide

IUPAC name

N-(26-dichlorophenyl)-2-(4-fluorobenzenesulfonyl)-1234-tetrahydroisoquinoline-3-carboxamide

SMILES

O=C(C(Cc1c(C2)cccc1)N2S(c(cc1)ccc1F)(=O)=O)Nc(c(Cl)ccc1)c1Cl

InChI

InChI=1S/C22H17Cl2FN2O3S/c23-18-6-3-7-19(24)21(18)26-22(28)20-12-14-4-1-2-5-15(14)13-27(20)31(29,30)17-10-8-16(25)9-11-17/h1-11,20H,12-13H2,(H,26,28)/t20-/m0/s1

InChI Key

VDWVTEWOYYIPOG-FQEVSTJZSA-N

MDL Number (MFCD)

MFCD03408602

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

479.36

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.678

Distribution Coefficient, logD

4.496

Water Solubility, LogSw

-5.94

Polar Surface Area

53.778

Acid Dissociation Constant (pKa)

6.25

Base Dissociation Constant (pKb)

-4.57

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

13.60

8013-0559 in Drug Discovery

Included in Screening Libraries

Nucleic Acid Ligands (8311 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Cancer
  • Musculoskeletal
  • Nervous system
  • Hemic and lymphatic
  • Immune system

References: we are preparing a list of scientific research reports with 8013-0559 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8013-0559?
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What is the minimum amount of 8013-0559 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8013-0559
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8013-0559
  • 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 8013-0559 available by request