E019-0577 Screening compound: N~1~-(2-ethoxybenzyl)-2-[4-methyl-1-oxo[1]benzothieno[2,3-d]pyridazin-2(1H)-yl]propanamide

E019-0577 Screening compound: N~1~-(2-ethoxybenzyl)-2-[4-methyl-1-oxo[1]benzothieno[2,3-d]pyridazin-2(1H)-yl]propanamide
E019-0577 Screening compound: N~1~-(2-ethoxybenzyl)-2-[4-methyl-1-oxo[1]benzothieno[2,3-d]pyridazin-2(1H)-yl]propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E019-0577
N~1~-(2-ethoxybenzyl)-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

E019-0577

Molecular Formula

C23H23N3O3S (C23 H23 N3 O3 S)

Compound Name

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

IUPAC name

N-[(2-ethoxyphenyl)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

CCOc1c(CNC(C(C)N2N=C(C)c(sc3c4cccc3)c4C2=O)=O)cccc1

InChI

InChI=1S/C23H23N3O3S/c1-4-29-18-11-7-5-9-16(18)13-24-22(27)15(3)26-23(28)20-17-10-6-8-12-19(17)30-21(20)14(2)25-26/h5-12,15H,4,13H2,1-3H3,(H,24,27)/t15-/m0/s1

InChI Key

PTHHMXAMLBTSEM-HNNXBMFYSA-N

MDL Number (MFCD)

MFCD14839692

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

421.52

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

4.192

Distribution Coefficient, logD

4.192

Water Solubility, LogSw

-4.28

Polar Surface Area

57.815

Acid Dissociation Constant (pKa)

13.37

Base Dissociation Constant (pKb)

-1.80

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

26.10

References: we are preparing a list of scientific research reports with E019-0577 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E019-0577?
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What is the minimum amount of E019-0577 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E019-0577
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E019-0577
  • 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 E019-0577 available by request