E019-1006 Screening compound: N~1~-(2-methoxyethyl)-4-[4-methyl-1-oxo[1]benzothieno[2,3-d]pyridazin-2(1H)-yl]butanamide

E019-1006 Screening compound: N~1~-(2-methoxyethyl)-4-[4-methyl-1-oxo[1]benzothieno[2,3-d]pyridazin-2(1H)-yl]butanamide
E019-1006 Screening compound: N~1~-(2-methoxyethyl)-4-[4-methyl-1-oxo[1]benzothieno[2,3-d]pyridazin-2(1H)-yl]butanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E019-1006
N~1~-(2-methoxyethyl)-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

E019-1006

Molecular Formula

C18H21N3O3S (C18 H21 N3 O3 S)

Compound Name

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

IUPAC name

N-(2-methoxyethyl)-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(NCCOC)=O)C2=O

InChI

InChI=1S/C18H21N3O3S/c1-12-17-16(13-6-3-4-7-14(13)25-17)18(23)21(20-12)10-5-8-15(22)19-9-11-24-2/h3-4,6-7H,5,8-11H2,1-2H3,(H,19,22)

InChI Key

AHYDYTNPXDCAOX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14839922

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

359.45

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

1.581

Distribution Coefficient, logD

1.581

Water Solubility, LogSw

-2.38

Polar Surface Area

60.292

Acid Dissociation Constant (pKa)

14.46

Base Dissociation Constant (pKb)

2.47

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

38.90

E019-1006 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 E019-1006 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E019-1006?
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What is the minimum amount of E019-1006 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E019-1006
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E019-1006
  • 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 E019-1006 available by request