D223-0822 Screening compound: ethyl 2-[1-(4-ethoxyphenyl)-4-oxo-1,4-dihydropyridazine-3-amido]-1,3-benzothiazole-6-carboxylate

D223-0822 Screening compound: ethyl 2-[1-(4-ethoxyphenyl)-4-oxo-1,4-dihydropyridazine-3-amido]-1,3-benzothiazole-6-carboxylate
D223-0822 Screening compound: ethyl 2-[1-(4-ethoxyphenyl)-4-oxo-1,4-dihydropyridazine-3-amido]-1,3-benzothiazole-6-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound D223-0822
ethyl 2-[1-(4-ethoxyphenyl)-4-oxo-1,4-dihydropyridazine-3-amido]-1,3-benzothiazole-6-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

D223-0822

Molecular Formula

C23H20N4O5S (C23 H20 N4 O5 S)

Compound Name

ethyl 2-[1-(4-ethoxyphenyl)-4-oxo-1,4-dihydropyridazine-3-amido]-1,3-benzothiazole-6-carboxylate

IUPAC name

ethyl 2-[1-(4-ethoxyphenyl)-4-oxo-14-dihydropyridazine-3-amido]-13-benzothiazole-6-carboxylate

SMILES

CCOC(c(cc1)cc2c1nc(NC(C(C(C=C1)=O)=NN1c(cc1)ccc1OCC)=O)s2)=O

InChI

InChI=1S/C23H20N4O5S/c1-3-31-16-8-6-15(7-9-16)27-12-11-18(28)20(26-27)21(29)25-23-24-17-10-5-14(13-19(17)33-23)22(30)32-4-2/h5-13H,3-4H2,1-2H3,(H,24,25,29)

InChI Key

ZSYBTDAIEIEWOM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD08548975

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

464.5

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

4.695

Distribution Coefficient, logD

4.552

Water Solubility, LogSw

-4.36

Polar Surface Area

87.379

Acid Dissociation Constant (pKa)

7.81

Base Dissociation Constant (pKb)

-0.04

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

17.40

References: we are preparing a list of scientific research reports with D223-0822 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D223-0822?
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What is the minimum amount of D223-0822 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D223-0822
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D223-0822
  • 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 D223-0822 available by request