E019-0601 Screening compound: 2-(1-{[4-(3-chlorophenyl)piperazino]carbonyl}propyl)-4-methyl[1]benzothieno[2,3-d]pyridazin-1(2H)-one

E019-0601 Screening compound: 2-(1-{[4-(3-chlorophenyl)piperazino]carbonyl}propyl)-4-methyl[1]benzothieno[2,3-d]pyridazin-1(2H)-one
E019-0601 Screening compound: 2-(1-{[4-(3-chlorophenyl)piperazino]carbonyl}propyl)-4-methyl[1]benzothieno[2,3-d]pyridazin-1(2H)-one alternative view

Chemical Structure Depiction of ChemDiv screening compound E019-0601
2-(1-{[4-(3-chlorophenyl)piperazino]carbonyl}propyl)-4-methyl[1]benzothieno[2,3-d]pyridazin-1(2H)-one

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

E019-0601

Molecular Formula

C25H25ClN4O2S (C25 H25 ClN4 O2 S)

Compound Name

2-(1-{[4-(3-chlorophenyl)piperazino]carbonyl}propyl)-4-methyl[1]benzothieno[2,3-d]pyridazin-1(2H)-one

IUPAC name

4-{1-[4-(3-chlorophenyl)piperazin-1-yl]-1-oxobutan-2-yl}-6-methyl-8-thia-45-diazatricyclo[7.4.0.0^{27}]trideca-1(13)2(7)5911-pentaen-3-one

SMILES

CCC(C(N(CC1)CCN1c1cccc(Cl)c1)=O)N1N=C(C)c(sc2c3cccc2)c3C1=O

InChI

InChI=1S/C25H25ClN4O2S/c1-3-20(24(31)29-13-11-28(12-14-29)18-8-6-7-17(26)15-18)30-25(32)22-19-9-4-5-10-21(19)33-23(22)16(2)27-30/h4-10,15,20H,3,11-14H2,1-2H3/t20-/m0/s1

InChI Key

WUPQQOMDXAGHNT-FQEVSTJZSA-N

MDL Number (MFCD)

MFCD14839706

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

481.02

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.296

Distribution Coefficient, logD

5.296

Water Solubility, LogSw

-5.99

Polar Surface Area

45.685

Acid Dissociation Constant (pKa)

16.17

Base Dissociation Constant (pKb)

2.61

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

32.00

References: we are preparing a list of scientific research reports with E019-0601 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E019-0601?
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What is the minimum amount of E019-0601 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E019-0601
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E019-0601
  • 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 E019-0601 available by request