E019-0081 Screening compound: N~1~-benzyl-2-[4-methyl-1-oxo[1]benzothieno[2,3-d]pyridazin-2(1H)-yl]acetamide

E019-0081 Screening compound: N~1~-benzyl-2-[4-methyl-1-oxo[1]benzothieno[2,3-d]pyridazin-2(1H)-yl]acetamide
E019-0081 Screening compound: N~1~-benzyl-2-[4-methyl-1-oxo[1]benzothieno[2,3-d]pyridazin-2(1H)-yl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E019-0081
N~1~-benzyl-2-[4-methyl-1-oxo[1]benzothieno[2,3-d]pyridazin-2(1H)-yl]acetamide

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

E019-0081

Molecular Formula

C20H17N3O2S (C20 H17 N3 O2 S)

Compound Name

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

IUPAC name

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

SMILES

CC(c1c2c(cccc3)c3s1)=NN(CC(NCc1ccccc1)=O)C2=O

InChI

InChI=1S/C20H17N3O2S/c1-13-19-18(15-9-5-6-10-16(15)26-19)20(25)23(22-13)12-17(24)21-11-14-7-3-2-4-8-14/h2-10H,11-12H2,1H3,(H,21,24)

InChI Key

XZVJWHQIQDDJEY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14839508

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

363.44

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.371

Distribution Coefficient, logD

3.371

Water Solubility, LogSw

-3.67

Polar Surface Area

51.858

Acid Dissociation Constant (pKa)

13.63

Base Dissociation Constant (pKb)

-2.11

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.00

References: we are preparing a list of scientific research reports with E019-0081 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E019-0081?
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What is the minimum amount of E019-0081 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E019-0081
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E019-0081
  • 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 E019-0081 available by request