E019-0981 Screening compound: N~1~-(3-chloro-2-methylphenyl)-4-[4-methyl-1-oxo[1]benzothieno[2,3-d]pyridazin-2(1H)-yl]butanamide

E019-0981 Screening compound: N~1~-(3-chloro-2-methylphenyl)-4-[4-methyl-1-oxo[1]benzothieno[2,3-d]pyridazin-2(1H)-yl]butanamide
E019-0981 Screening compound: N~1~-(3-chloro-2-methylphenyl)-4-[4-methyl-1-oxo[1]benzothieno[2,3-d]pyridazin-2(1H)-yl]butanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E019-0981
N~1~-(3-chloro-2-methylphenyl)-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

E019-0981

Molecular Formula

C22H20ClN3O2S (C22 H20 ClN3 O2 S)

Compound Name

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

IUPAC name

N-(3-chloro-2-methylphenyl)-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(Nc1cccc(Cl)c1C)=O)C2=O

InChI

InChI=1S/C22H20ClN3O2S/c1-13-16(23)8-5-9-17(13)24-19(27)11-6-12-26-22(28)20-15-7-3-4-10-18(15)29-21(20)14(2)25-26/h3-5,7-10H,6,11-12H2,1-2H3,(H,24,27)

InChI Key

NNUXYIUWNGWXHM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14839903

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

425.94

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.354

Distribution Coefficient, logD

4.353

Water Solubility, LogSw

-4.64

Polar Surface Area

49.817

Acid Dissociation Constant (pKa)

10.41

Base Dissociation Constant (pKb)

2.47

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

22.70

E019-0981 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 E019-0981 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E019-0981?
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What is the minimum amount of E019-0981 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E019-0981
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E019-0981
  • 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 E019-0981 available by request