E019-0744 Screening compound: N~1~-(2,5-difluorophenyl)-2-[4-methyl-1-oxo[1]benzothieno[2,3-d]pyridazin-2(1H)-yl]butanamide

E019-0744 Screening compound: N~1~-(2,5-difluorophenyl)-2-[4-methyl-1-oxo[1]benzothieno[2,3-d]pyridazin-2(1H)-yl]butanamide
E019-0744 Screening compound: N~1~-(2,5-difluorophenyl)-2-[4-methyl-1-oxo[1]benzothieno[2,3-d]pyridazin-2(1H)-yl]butanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E019-0744
N~1~-(2,5-difluorophenyl)-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

E019-0744

Molecular Formula

C21H17F2N3O2S (C21 H17 F2 N3 O2 S)

Compound Name

N~1~-(2,5-difluorophenyl)-2-[4-methyl-1-oxo[1]benzothieno[2,3-d]pyridazin-2(1H)-yl]butanamide

IUPAC name

N-(25-difluorophenyl)-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(cc(cc1)F)c1F)=O)N1N=C(C)c(sc2c3cccc2)c3C1=O

InChI

InChI=1S/C21H17F2N3O2S/c1-3-16(20(27)24-15-10-12(22)8-9-14(15)23)26-21(28)18-13-6-4-5-7-17(13)29-19(18)11(2)25-26/h4-10,16H,3H2,1-2H3,(H,24,27)/t16-/m0/s1

InChI Key

JXLIJMNOFIYFLN-INIZCTEOSA-N

MDL Number (MFCD)

MFCD14839788

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

413.45

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

5.205

Distribution Coefficient, logD

5.192

Water Solubility, LogSw

-5.31

Polar Surface Area

48.169

Acid Dissociation Constant (pKa)

8.93

Base Dissociation Constant (pKb)

-1.83

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

19.00

References: we are preparing a list of scientific research reports with E019-0744 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E019-0744?
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What is the minimum amount of E019-0744 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E019-0744
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E019-0744
  • 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 E019-0744 available by request