E019-0383 Screening compound: N~1~-(4-chlorobenzyl)-2-[4-methyl-1-oxo[1]benzothieno[2,3-d]pyridazin-2(1H)-yl]propanamide

E019-0383 Screening compound: N~1~-(4-chlorobenzyl)-2-[4-methyl-1-oxo[1]benzothieno[2,3-d]pyridazin-2(1H)-yl]propanamide
E019-0383 Screening compound: N~1~-(4-chlorobenzyl)-2-[4-methyl-1-oxo[1]benzothieno[2,3-d]pyridazin-2(1H)-yl]propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E019-0383
N~1~-(4-chlorobenzyl)-2-[4-methyl-1-oxo[1]benzothieno[2,3-d]pyridazin-2(1H)-yl]propanamide

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

E019-0383

Molecular Formula

C21H18ClN3O2S (C21 H18 ClN3 O2 S)

Compound Name

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

IUPAC name

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

SMILES

CC(C(NCc(cc1)ccc1Cl)=O)N1N=C(C)c(sc2c3cccc2)c3C1=O

InChI

InChI=1S/C21H18ClN3O2S/c1-12-19-18(16-5-3-4-6-17(16)28-19)21(27)25(24-12)13(2)20(26)23-11-14-7-9-15(22)10-8-14/h3-10,13H,11H2,1-2H3,(H,23,26)/t13-/m0/s1

InChI Key

OIQQBHLESQQDCJ-ZDUSSCGKSA-N

MDL Number (MFCD)

MFCD14839614

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

411.91

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

4.177

Distribution Coefficient, logD

4.177

Water Solubility, LogSw

-4.83

Polar Surface Area

50.605

Acid Dissociation Constant (pKa)

12.95

Base Dissociation Constant (pKb)

-1.80

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

19.00

References: we are preparing a list of scientific research reports with E019-0383 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E019-0383?
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What is the minimum amount of E019-0383 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E019-0383
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E019-0383
  • 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 E019-0383 available by request