E019-0991 Screening compound: 4-[4-methyl-1-oxo[1]benzothieno[2,3-d]pyridazin-2(1H)-yl]-N~1~-(1-phenylethyl)butanamide

E019-0991 Screening compound: 4-[4-methyl-1-oxo[1]benzothieno[2,3-d]pyridazin-2(1H)-yl]-N~1~-(1-phenylethyl)butanamide
E019-0991 Screening compound: 4-[4-methyl-1-oxo[1]benzothieno[2,3-d]pyridazin-2(1H)-yl]-N~1~-(1-phenylethyl)butanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E019-0991
4-[4-methyl-1-oxo[1]benzothieno[2,3-d]pyridazin-2(1H)-yl]-N~1~-(1-phenylethyl)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

E019-0991

Molecular Formula

C23H23N3O2S (C23 H23 N3 O2 S)

Compound Name

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

IUPAC name

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

SMILES

CC(c1ccccc1)NC(CCCN1N=C(C)c(sc2c3cccc2)c3C1=O)=O

InChI

InChI=1S/C23H23N3O2S/c1-15(17-9-4-3-5-10-17)24-20(27)13-8-14-26-23(28)21-18-11-6-7-12-19(18)29-22(21)16(2)25-26/h3-7,9-12,15H,8,13-14H2,1-2H3,(H,24,27)/t15-/m0/s1

InChI Key

ZSAYYUPVWLUCBU-HNNXBMFYSA-N

MDL Number (MFCD)

MFCD14839912

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

405.52

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.604

Distribution Coefficient, logD

3.604

Water Solubility, LogSw

-4.00

Polar Surface Area

51.000

Acid Dissociation Constant (pKa)

12.99

Base Dissociation Constant (pKb)

2.47

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

26.10

E019-0991 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 E019-0991 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E019-0991?
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What is the minimum amount of E019-0991 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E019-0991
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E019-0991
  • 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 E019-0991 available by request