E019-0819 Screening compound: N~1~-{3-[3,4-dihydro-2(1H)-isoquinolinyl]propyl}-2-[4-methyl-1-oxo[1]benzothieno[2,3-d]pyridazin-2(1H)-yl]butanamide

E019-0819 Screening compound: N~1~-{3-[3,4-dihydro-2(1H)-isoquinolinyl]propyl}-2-[4-methyl-1-oxo[1]benzothieno[2,3-d]pyridazin-2(1H)-yl]butanamide
E019-0819 Screening compound: N~1~-{3-[3,4-dihydro-2(1H)-isoquinolinyl]propyl}-2-[4-methyl-1-oxo[1]benzothieno[2,3-d]pyridazin-2(1H)-yl]butanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E019-0819
N~1~-{3-[3,4-dihydro-2(1H)-isoquinolinyl]propyl}-2-[4-methyl-1-oxo[1]benzothieno[2,3-d]pyridazin-2(1H)-yl]butanamide

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

E019-0819

Molecular Formula

C27H30N4O2S (C27 H30 N4 O2 S)

Compound Name

N~1~-{3-[3,4-dihydro-2(1H)-isoquinolinyl]propyl}-2-[4-methyl-1-oxo[1]benzothieno[2,3-d]pyridazin-2(1H)-yl]butanamide

IUPAC name

2-{6-methyl-3-oxo-8-thia-45-diazatricyclo[7.4.0.0^{27}]trideca-1(13)2(7)5911-pentaen-4-yl}-N-[3-(1234-tetrahydroisoquinolin-2-yl)propyl]butanamide

SMILES

CCC(C(NCCCN(CC1)Cc2c1cccc2)=O)N1N=C(C)c(sc2c3cccc2)c3C1=O

InChI

InChI=1S/C27H30N4O2S/c1-3-22(26(32)28-14-8-15-30-16-13-19-9-4-5-10-20(19)17-30)31-27(33)24-21-11-6-7-12-23(21)34-25(24)18(2)29-31/h4-7,9-12,22H,3,8,13-17H2,1-2H3,(H,28,32)/t22-/m0/s1

InChI Key

CMMFYWSTSNNPPA-QFIPXVFZSA-N

MDL Number (MFCD)

MFCD14839817

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

474.63

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.831

Distribution Coefficient, logD

3.627

Water Solubility, LogSw

-4.68

Polar Surface Area

53.675

Acid Dissociation Constant (pKa)

15.69

Base Dissociation Constant (pKb)

8.58

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

37.00

E019-0819 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with E019-0819 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E019-0819?
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What is the minimum amount of E019-0819 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E019-0819
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E019-0819
  • 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 E019-0819 available by request