E019-0784 Screening compound: N~1~-[1-(1-adamantyl)ethyl]-2-[4-methyl-1-oxo[1]benzothieno[2,3-d]pyridazin-2(1H)-yl]butanamide

E019-0784 Screening compound: N~1~-[1-(1-adamantyl)ethyl]-2-[4-methyl-1-oxo[1]benzothieno[2,3-d]pyridazin-2(1H)-yl]butanamide
E019-0784 Screening compound: N~1~-[1-(1-adamantyl)ethyl]-2-[4-methyl-1-oxo[1]benzothieno[2,3-d]pyridazin-2(1H)-yl]butanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E019-0784
N~1~-[1-(1-adamantyl)ethyl]-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

E019-0784

Molecular Formula

C27H33N3O2S (C27 H33 N3 O2 S)

Compound Name

N~1~-[1-(1-adamantyl)ethyl]-2-[4-methyl-1-oxo[1]benzothieno[2,3-d]pyridazin-2(1H)-yl]butanamide

IUPAC name

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

SMILES

CCC(C(NC(C)C1(CC(C2)C3)CC3CC2C1)=O)N1N=C(C)c(sc2c3cccc2)c3C1=O

InChI

InChI=1S/C27H33N3O2S/c1-4-21(25(31)28-16(3)27-12-17-9-18(13-27)11-19(10-17)14-27)30-26(32)23-20-7-5-6-8-22(20)33-24(23)15(2)29-30/h5-8,16-19,21H,4,9-14H2,1-3H3,(H,28,31)

InChI Key

ZMSOBFCZUQXJOY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14839801

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

463.64

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

6.078

Distribution Coefficient, logD

6.078

Water Solubility, LogSw

-5.78

Polar Surface Area

49.386

Acid Dissociation Constant (pKa)

14.73

Base Dissociation Constant (pKb)

0.69

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

59.30

E019-0784 in Drug Discovery

Included in Screening Libraries

Antimitotic Tubulin Library (17355 compounds)

GABA Library (7115 compounds)

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Eye
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • GPCR
  • Ion Channels
  • Phosphatases
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with E019-0784 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E019-0784?
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What is the minimum amount of E019-0784 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E019-0784
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E019-0784
  • 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 E019-0784 available by request