D223-0593 Screening compound: ethyl 2-[1-(3-methylphenyl)-4-oxo-1,4-dihydropyridazine-3-amido]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

D223-0593 Screening compound: ethyl 2-[1-(3-methylphenyl)-4-oxo-1,4-dihydropyridazine-3-amido]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
D223-0593 Screening compound: ethyl 2-[1-(3-methylphenyl)-4-oxo-1,4-dihydropyridazine-3-amido]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound D223-0593
ethyl 2-[1-(3-methylphenyl)-4-oxo-1,4-dihydropyridazine-3-amido]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

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

D223-0593

Molecular Formula

C23H23N3O4S (C23 H23 N3 O4 S)

Compound Name

ethyl 2-[1-(3-methylphenyl)-4-oxo-1,4-dihydropyridazine-3-amido]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

IUPAC name

ethyl 2-[1-(3-methylphenyl)-4-oxo-14-dihydropyridazine-3-amido]-4567-tetrahydro-1-benzothiophene-3-carboxylate

SMILES

CCOC(c1c(NC(C(C(C=C2)=O)=NN2c2cc(C)ccc2)=O)sc2c1CCCC2)=O

InChI

InChI=1S/C23H23N3O4S/c1-3-30-23(29)19-16-9-4-5-10-18(16)31-22(19)24-21(28)20-17(27)11-12-26(25-20)15-8-6-7-14(2)13-15/h6-8,11-13H,3-5,9-10H2,1-2H3,(H,24,28)

InChI Key

TVLDAAYTOZCSMD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD07427975

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

437.52

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.447

Distribution Coefficient, logD

-1.066

Water Solubility, LogSw

-4.41

Polar Surface Area

70.209

Acid Dissociation Constant (pKa)

1.89

Base Dissociation Constant (pKb)

-0.46

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

30.40

References: we are preparing a list of scientific research reports with D223-0593 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D223-0593?
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What is the minimum amount of D223-0593 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D223-0593
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D223-0593
  • 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 D223-0593 available by request