E019-0978 Screening compound: N~1~-(1,3-benzodioxol-5-ylmethyl)-4-[4-methyl-1-oxo[1]benzothieno[2,3-d]pyridazin-2(1H)-yl]butanamide

E019-0978 Screening compound: N~1~-(1,3-benzodioxol-5-ylmethyl)-4-[4-methyl-1-oxo[1]benzothieno[2,3-d]pyridazin-2(1H)-yl]butanamide
E019-0978 Screening compound: N~1~-(1,3-benzodioxol-5-ylmethyl)-4-[4-methyl-1-oxo[1]benzothieno[2,3-d]pyridazin-2(1H)-yl]butanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E019-0978
N~1~-(1,3-benzodioxol-5-ylmethyl)-4-[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

E019-0978

Molecular Formula

C23H21N3O4S (C23 H21 N3 O4 S)

Compound Name

N~1~-(1,3-benzodioxol-5-ylmethyl)-4-[4-methyl-1-oxo[1]benzothieno[2,3-d]pyridazin-2(1H)-yl]butanamide

IUPAC name

N-[(2H-13-benzodioxol-5-yl)methyl]-4-{6-methyl-3-oxo-8-thia-45-diazatricyclo[7.4.0.0^{27}]trideca-1(13)2(7)5911-pentaen-4-yl}butanamide

SMILES

CC(c1c2c(cccc3)c3s1)=NN(CCCC(NCc(cc1)cc3c1OCO3)=O)C2=O

InChI

InChI=1S/C23H21N3O4S/c1-14-22-21(16-5-2-3-6-19(16)31-22)23(28)26(25-14)10-4-7-20(27)24-12-15-8-9-17-18(11-15)30-13-29-17/h2-3,5-6,8-9,11H,4,7,10,12-13H2,1H3,(H,24,27)

InChI Key

WGBPHGXHFFAHPT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14839901

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

435.5

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.160

Distribution Coefficient, logD

3.160

Water Solubility, LogSw

-3.35

Polar Surface Area

68.952

Acid Dissociation Constant (pKa)

14.52

Base Dissociation Constant (pKb)

2.47

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

26.10

E019-0978 in Drug Discovery

Included in Screening Libraries

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

CORONAVIRUS Library (20774 compounds)

PLpro Library (6343 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with E019-0978 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E019-0978?
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What is the minimum amount of E019-0978 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E019-0978
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E019-0978
  • 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 E019-0978 available by request