E019-0959 Screening compound: N~1~-(2,4-difluorophenyl)-4-[4-methyl-1-oxo[1]benzothieno[2,3-d]pyridazin-2(1H)-yl]butanamide

E019-0959 Screening compound: N~1~-(2,4-difluorophenyl)-4-[4-methyl-1-oxo[1]benzothieno[2,3-d]pyridazin-2(1H)-yl]butanamide
E019-0959 Screening compound: N~1~-(2,4-difluorophenyl)-4-[4-methyl-1-oxo[1]benzothieno[2,3-d]pyridazin-2(1H)-yl]butanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E019-0959
N~1~-(2,4-difluorophenyl)-4-[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

E019-0959

Molecular Formula

C21H17F2N3O2S (C21 H17 F2 N3 O2 S)

Compound Name

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

IUPAC name

N-(24-difluorophenyl)-4-{6-methyl-3-oxo-8-thia-45-diazatricyclo[7.4.0.0^{27}]trideca-1(13)2(7)5911-pentaen-4-yl}butanamide

SMILES

CC(c1c2c(cccc3)c3s1)=NN(CCCC(Nc(ccc(F)c1)c1F)=O)C2=O

InChI

InChI=1S/C21H17F2N3O2S/c1-12-20-19(14-5-2-3-6-17(14)29-20)21(28)26(25-12)10-4-7-18(27)24-16-9-8-13(22)11-15(16)23/h2-3,5-6,8-9,11H,4,7,10H2,1H3,(H,24,27)

InChI Key

BGCMOAVOYNHFIM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14839886

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

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.462

Distribution Coefficient, logD

3.447

Water Solubility, LogSw

-4.10

Polar Surface Area

49.817

Acid Dissociation Constant (pKa)

8.84

Base Dissociation Constant (pKb)

2.47

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

19.00

E019-0959 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with E019-0959 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E019-0959?
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What is the minimum amount of E019-0959 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E019-0959
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E019-0959
  • 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 E019-0959 available by request