D223-0891 Screening compound: ethyl 2-[1-(4-chlorophenyl)-4-oxo-1,4-dihydropyridazine-3-amido]-4-phenylthiophene-3-carboxylate

D223-0891 Screening compound: ethyl 2-[1-(4-chlorophenyl)-4-oxo-1,4-dihydropyridazine-3-amido]-4-phenylthiophene-3-carboxylate
D223-0891 Screening compound: ethyl 2-[1-(4-chlorophenyl)-4-oxo-1,4-dihydropyridazine-3-amido]-4-phenylthiophene-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound D223-0891
ethyl 2-[1-(4-chlorophenyl)-4-oxo-1,4-dihydropyridazine-3-amido]-4-phenylthiophene-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

D223-0891

Molecular Formula

C24H18ClN3O4S (C24 H18 ClN3 O4 S)

Compound Name

ethyl 2-[1-(4-chlorophenyl)-4-oxo-1,4-dihydropyridazine-3-amido]-4-phenylthiophene-3-carboxylate

IUPAC name

ethyl 2-[1-(4-chlorophenyl)-4-oxo-14-dihydropyridazine-3-amido]-4-phenylthiophene-3-carboxylate

SMILES

CCOC(c1c(NC(C(C(C=C2)=O)=NN2c(cc2)ccc2Cl)=O)scc1-c1ccccc1)=O

InChI

InChI=1S/C24H18ClN3O4S/c1-2-32-24(31)20-18(15-6-4-3-5-7-15)14-33-23(20)26-22(30)21-19(29)12-13-28(27-21)17-10-8-16(25)9-11-17/h3-14H,2H2,1H3,(H,26,30)

InChI Key

LQNWUHNECKIEJC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD08549598

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

479.94

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.996

Distribution Coefficient, logD

3.096

Water Solubility, LogSw

-5.27

Polar Surface Area

70.016

Acid Dissociation Constant (pKa)

5.51

Base Dissociation Constant (pKb)

-1.24

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

8.30

References: we are preparing a list of scientific research reports with D223-0891 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D223-0891?
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What is the minimum amount of D223-0891 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D223-0891
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D223-0891
  • 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 D223-0891 available by request