E019-0728 Screening compound: N~1~-(4-bromo-3-methylphenyl)-2-[4-methyl-1-oxo[1]benzothieno[2,3-d]pyridazin-2(1H)-yl]butanamide

E019-0728 Screening compound: N~1~-(4-bromo-3-methylphenyl)-2-[4-methyl-1-oxo[1]benzothieno[2,3-d]pyridazin-2(1H)-yl]butanamide
E019-0728 Screening compound: N~1~-(4-bromo-3-methylphenyl)-2-[4-methyl-1-oxo[1]benzothieno[2,3-d]pyridazin-2(1H)-yl]butanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E019-0728
N~1~-(4-bromo-3-methylphenyl)-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

E019-0728

Molecular Formula

C22H20BrN3O2S (C22 H20 BrN3 O2 S)

Compound Name

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

IUPAC name

N-(4-bromo-3-methylphenyl)-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(Nc(cc1)cc(C)c1Br)=O)N1N=C(C)c(sc2c3cccc2)c3C1=O

InChI

InChI=1S/C22H20BrN3O2S/c1-4-17(21(27)24-14-9-10-16(23)12(2)11-14)26-22(28)19-15-7-5-6-8-18(15)29-20(19)13(3)25-26/h5-11,17H,4H2,1-3H3,(H,24,27)/t17-/m0/s1

InChI Key

VYOGPJUYJLJTEK-KRWDZBQOSA-N

MDL Number (MFCD)

MFCD14839774

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

470.39

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

5.913

Distribution Coefficient, logD

5.913

Water Solubility, LogSw

-5.68

Polar Surface Area

48.867

Acid Dissociation Constant (pKa)

11.07

Base Dissociation Constant (pKb)

-0.42

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

22.70

References: we are preparing a list of scientific research reports with E019-0728 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E019-0728?
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What is the minimum amount of E019-0728 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E019-0728
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E019-0728
  • 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 E019-0728 available by request