E019-0797 Screening compound: N~1~-[3-(ethyl-3-methylanilino)propyl]-2-[4-methyl-1-oxo[1]benzothieno[2,3-d]pyridazin-2(1H)-yl]butanamide

E019-0797 Screening compound: N~1~-[3-(ethyl-3-methylanilino)propyl]-2-[4-methyl-1-oxo[1]benzothieno[2,3-d]pyridazin-2(1H)-yl]butanamide
E019-0797 Screening compound: N~1~-[3-(ethyl-3-methylanilino)propyl]-2-[4-methyl-1-oxo[1]benzothieno[2,3-d]pyridazin-2(1H)-yl]butanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E019-0797
N~1~-[3-(ethyl-3-methylanilino)propyl]-2-[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

E019-0797

Molecular Formula

C27H32N4O2S (C27 H32 N4 O2 S)

Compound Name

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

IUPAC name

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

SMILES

CCC(C(NCCCN(CC)c1cc(C)ccc1)=O)N1N=C(C)c(sc2c3cccc2)c3C1=O

InChI

InChI=1S/C27H32N4O2S/c1-5-22(26(32)28-15-10-16-30(6-2)20-12-9-11-18(3)17-20)31-27(33)24-21-13-7-8-14-23(21)34-25(24)19(4)29-31/h7-9,11-14,17,22H,5-6,10,15-16H2,1-4H3,(H,28,32)/t22-/m0/s1

InChI Key

ZBFUMUAPLIKMIE-QFIPXVFZSA-N

MDL Number (MFCD)

MFCD14839807

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

476.64

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.728

Distribution Coefficient, logD

5.696

Water Solubility, LogSw

-5.65

Polar Surface Area

53.021

Acid Dissociation Constant (pKa)

15.12

Base Dissociation Constant (pKb)

6.29

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

37.00

References: we are preparing a list of scientific research reports with E019-0797 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E019-0797?
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What is the minimum amount of E019-0797 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E019-0797
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E019-0797
  • 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 E019-0797 available by request