E019-0736 Screening compound: 2-[4-methyl-1-oxo[1]benzothieno[2,3-d]pyridazin-2(1H)-yl]-N~1~-(1,2,3,4-tetrahydro-1-naphthalenyl)butanamide

E019-0736 Screening compound: 2-[4-methyl-1-oxo[1]benzothieno[2,3-d]pyridazin-2(1H)-yl]-N~1~-(1,2,3,4-tetrahydro-1-naphthalenyl)butanamide
E019-0736 Screening compound: 2-[4-methyl-1-oxo[1]benzothieno[2,3-d]pyridazin-2(1H)-yl]-N~1~-(1,2,3,4-tetrahydro-1-naphthalenyl)butanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E019-0736
2-[4-methyl-1-oxo[1]benzothieno[2,3-d]pyridazin-2(1H)-yl]-N~1~-(1,2,3,4-tetrahydro-1-naphthalenyl)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

E019-0736

Molecular Formula

C25H25N3O2S (C25 H25 N3 O2 S)

Compound Name

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

IUPAC name

2-{6-methyl-3-oxo-8-thia-45-diazatricyclo[7.4.0.0^{27}]trideca-1(13)2(7)5911-pentaen-4-yl}-N-(1234-tetrahydronaphthalen-1-yl)butanamide

SMILES

CCC(C(NC(CCC1)c2c1cccc2)=O)N1N=C(C)c(sc2c3cccc2)c3C1=O

InChI

InChI=1S/C25H25N3O2S/c1-3-20(24(29)26-19-13-8-10-16-9-4-5-11-17(16)19)28-25(30)22-18-12-6-7-14-21(18)31-23(22)15(2)27-28/h4-7,9,11-12,14,19-20H,3,8,10,13H2,1-2H3,(H,26,29)

InChI Key

DQULKIFOHDATNJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14839781

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

431.56

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

5.454

Distribution Coefficient, logD

5.454

Water Solubility, LogSw

-5.59

Polar Surface Area

50.033

Acid Dissociation Constant (pKa)

12.19

Base Dissociation Constant (pKb)

-1.57

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

32.00

References: we are preparing a list of scientific research reports with E019-0736 chemical compound. It will be published here after verification.

Frequently Asked Questions

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Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E019-0736
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E019-0736
  • 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 E019-0736 available by request