E019-0623 Screening compound: 2-{1-[(3,5-dimethylpiperidino)carbonyl]propyl}-4-methyl[1]benzothieno[2,3-d]pyridazin-1(2H)-one

E019-0623 Screening compound: 2-{1-[(3,5-dimethylpiperidino)carbonyl]propyl}-4-methyl[1]benzothieno[2,3-d]pyridazin-1(2H)-one
E019-0623 Screening compound: 2-{1-[(3,5-dimethylpiperidino)carbonyl]propyl}-4-methyl[1]benzothieno[2,3-d]pyridazin-1(2H)-one alternative view

Chemical Structure Depiction of ChemDiv screening compound E019-0623
2-{1-[(3,5-dimethylpiperidino)carbonyl]propyl}-4-methyl[1]benzothieno[2,3-d]pyridazin-1(2H)-one

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

E019-0623

Molecular Formula

C22H27N3O2S (C22 H27 N3 O2 S)

Compound Name

2-{1-[(3,5-dimethylpiperidino)carbonyl]propyl}-4-methyl[1]benzothieno[2,3-d]pyridazin-1(2H)-one

IUPAC name

4-[1-(35-dimethylpiperidin-1-yl)-1-oxobutan-2-yl]-6-methyl-8-thia-45-diazatricyclo[7.4.0.0^{27}]trideca-1(13)2(7)5911-pentaen-3-one

SMILES

CCC(C(N1CC(C)CC(C)C1)=O)N1N=C(C)c(sc2c3cccc2)c3C1=O

InChI

InChI=1S/C22H27N3O2S/c1-5-17(21(26)24-11-13(2)10-14(3)12-24)25-22(27)19-16-8-6-7-9-18(16)28-20(19)15(4)23-25/h6-9,13-14,17H,5,10-12H2,1-4H3

InChI Key

VAOIOPKYRYJAFK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14839721

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

397.54

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.928

Distribution Coefficient, logD

4.928

Water Solubility, LogSw

-4.84

Polar Surface Area

42.291

Acid Dissociation Constant (pKa)

16.17

Base Dissociation Constant (pKb)

5.26

Number of Chiral Centers

3.00

Percent sp3 carbon bonding

50.00

E019-0623 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with E019-0623 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E019-0623?
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What is the minimum amount of E019-0623 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E019-0623
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E019-0623
  • 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 E019-0623 available by request