D223-0766 Screening compound: methyl 2-[1-(4-ethoxyphenyl)-4-oxo-1,4-dihydropyridazine-3-amido]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

D223-0766 Screening compound: methyl 2-[1-(4-ethoxyphenyl)-4-oxo-1,4-dihydropyridazine-3-amido]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
D223-0766 Screening compound: methyl 2-[1-(4-ethoxyphenyl)-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 D223-0766
methyl 2-[1-(4-ethoxyphenyl)-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

D223-0766

Molecular Formula

C23H23N3O5S (C23 H23 N3 O5 S)

Compound Name

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

IUPAC name

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

SMILES

CCOc(cc1)ccc1N(C=C1)N=C(C(Nc2c(C(OC)=O)c(CCCC3)c3s2)=O)C1=O

InChI

InChI=1S/C23H23N3O5S/c1-3-31-15-10-8-14(9-11-15)26-13-12-17(27)20(25-26)21(28)24-22-19(23(29)30-2)16-6-4-5-7-18(16)32-22/h8-13H,3-7H2,1-2H3,(H,24,28)

InChI Key

OABJDBUHHNCXLD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD07428247

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

453.52

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.966

Distribution Coefficient, logD

-1.547

Water Solubility, LogSw

-4.26

Polar Surface Area

77.752

Acid Dissociation Constant (pKa)

1.89

Base Dissociation Constant (pKb)

-3.41

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

30.40

D223-0766 in Drug Discovery

Included in Screening Libraries

Anti-HIV1 Library (19540 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with D223-0766 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D223-0766?
Check Price and Availability of D223-0766, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of D223-0766 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D223-0766
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D223-0766
  • 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 D223-0766 available by request