D223-0781 Screening compound: 2-methylpropyl 2-[1-(4-ethoxyphenyl)-4-oxo-1,4-dihydropyridazine-3-amido]-4-methyl-1,3-thiazole-5-carboxylate

D223-0781 Screening compound: 2-methylpropyl 2-[1-(4-ethoxyphenyl)-4-oxo-1,4-dihydropyridazine-3-amido]-4-methyl-1,3-thiazole-5-carboxylate
D223-0781 Screening compound: 2-methylpropyl 2-[1-(4-ethoxyphenyl)-4-oxo-1,4-dihydropyridazine-3-amido]-4-methyl-1,3-thiazole-5-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound D223-0781
2-methylpropyl 2-[1-(4-ethoxyphenyl)-4-oxo-1,4-dihydropyridazine-3-amido]-4-methyl-1,3-thiazole-5-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

D223-0781

Molecular Formula

C22H24N4O5S (C22 H24 N4 O5 S)

Compound Name

2-methylpropyl 2-[1-(4-ethoxyphenyl)-4-oxo-1,4-dihydropyridazine-3-amido]-4-methyl-1,3-thiazole-5-carboxylate

IUPAC name

2-methylpropyl 2-[1-(4-ethoxyphenyl)-4-oxo-14-dihydropyridazine-3-amido]-4-methyl-13-thiazole-5-carboxylate

SMILES

CCOc(cc1)ccc1N(C=C1)N=C(C(Nc2nc(C)c(C(OCC(C)C)=O)s2)=O)C1=O

InChI

InChI=1S/C22H24N4O5S/c1-5-30-16-8-6-15(7-9-16)26-11-10-17(27)18(25-26)20(28)24-22-23-14(4)19(32-22)21(29)31-12-13(2)3/h6-11,13H,5,12H2,1-4H3,(H,23,24,28)

InChI Key

GMJDUZPXYZUXID-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD08548771

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

456.52

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

4.202

Distribution Coefficient, logD

1.725

Water Solubility, LogSw

-4.08

Polar Surface Area

88.616

Acid Dissociation Constant (pKa)

4.92

Base Dissociation Constant (pKb)

-0.04

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

31.80

D223-0781 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

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

Regenerative Medicine Focused Library (23016 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Musculoskeletal
  • Digestive system
  • Hemic and lymphatic
  • Cardiovascular
  • Skin
  • wounds

References: we are preparing a list of scientific research reports with D223-0781 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D223-0781?
Check Price and Availability of D223-0781, 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 D223-0781 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D223-0781
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D223-0781
  • 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 D223-0781 available by request