E019-0941 Screening compound: N~1~-(4-methoxyphenyl)-4-[4-methyl-1-oxo[1]benzothieno[2,3-d]pyridazin-2(1H)-yl]butanamide

E019-0941 Screening compound: N~1~-(4-methoxyphenyl)-4-[4-methyl-1-oxo[1]benzothieno[2,3-d]pyridazin-2(1H)-yl]butanamide
E019-0941 Screening compound: N~1~-(4-methoxyphenyl)-4-[4-methyl-1-oxo[1]benzothieno[2,3-d]pyridazin-2(1H)-yl]butanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E019-0941
N~1~-(4-methoxyphenyl)-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

E019-0941

Molecular Formula

C22H21N3O3S (C22 H21 N3 O3 S)

Compound Name

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

IUPAC name

N-(4-methoxyphenyl)-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(Nc(cc1)ccc1OC)=O)C2=O

InChI

InChI=1S/C22H21N3O3S/c1-14-21-20(17-6-3-4-7-18(17)29-21)22(27)25(24-14)13-5-8-19(26)23-15-9-11-16(28-2)12-10-15/h3-4,6-7,9-12H,5,8,13H2,1-2H3,(H,23,26)

InChI Key

LOODUCSLCVVBLC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14839872

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

407.49

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.529

Distribution Coefficient, logD

3.529

Water Solubility, LogSw

-4.01

Polar Surface Area

58.058

Acid Dissociation Constant (pKa)

12.20

Base Dissociation Constant (pKb)

2.47

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

22.70

E019-0941 in Drug Discovery

Included in Screening Libraries

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with E019-0941 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E019-0941?
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What is the minimum amount of E019-0941 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E019-0941
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E019-0941
  • 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 E019-0941 available by request