J019-0590 Screening compound: 4-methoxy-N-methyl-N-[2-(1,2,3,4-tetrahydroisoquinoline-2-carbonyl)-1-benzothiophen-5-yl]benzene-1-sulfonamide

J019-0590 Screening compound: 4-methoxy-N-methyl-N-[2-(1,2,3,4-tetrahydroisoquinoline-2-carbonyl)-1-benzothiophen-5-yl]benzene-1-sulfonamide
J019-0590 Screening compound: 4-methoxy-N-methyl-N-[2-(1,2,3,4-tetrahydroisoquinoline-2-carbonyl)-1-benzothiophen-5-yl]benzene-1-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound J019-0590
4-methoxy-N-methyl-N-[2-(1,2,3,4-tetrahydroisoquinoline-2-carbonyl)-1-benzothiophen-5-yl]benzene-1-sulfonamide

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

J019-0590

Molecular Formula

C26H24N2O4S2 (C26 H24 N2 O4 S2)

Compound Name

4-methoxy-N-methyl-N-[2-(1,2,3,4-tetrahydroisoquinoline-2-carbonyl)-1-benzothiophen-5-yl]benzene-1-sulfonamide

IUPAC name

4-methoxy-N-methyl-N-[2-(1234-tetrahydroisoquinoline-2-carbonyl)-1-benzothiophen-5-yl]benzene-1-sulfonamide

SMILES

CN(c(cc1)cc2c1sc(C(N(CC1)Cc3c1cccc3)=O)c2)S(c(cc1)ccc1OC)(=O)=O

InChI

InChI=1S/C26H24N2O4S2/c1-27(34(30,31)23-10-8-22(32-2)9-11-23)21-7-12-24-20(15-21)16-25(33-24)26(29)28-14-13-18-5-3-4-6-19(18)17-28/h3-12,15-16H,13-14,17H2,1-2H3

InChI Key

HEPGUJFXHOULFQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27218256

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

492.62

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.556

Distribution Coefficient, logD

5.556

Water Solubility, LogSw

-5.68

Polar Surface Area

57.660

Acid Dissociation Constant (pKa)

26.00

Base Dissociation Constant (pKb)

-2.12

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

19.20

J019-0590 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

Antimitotic Tubulin Library (17355 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Male
  • Female
  • Hemic and lymphatic
  • Skin

References: we are preparing a list of scientific research reports with J019-0590 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound J019-0590?
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What is the minimum amount of J019-0590 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for J019-0590
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for J019-0590
  • 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 J019-0590 available by request