D223-0963 Screening compound: methyl 2-[1-(4-fluorophenyl)-4-oxo-1,4-dihydropyridazine-3-amido]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

D223-0963 Screening compound: methyl 2-[1-(4-fluorophenyl)-4-oxo-1,4-dihydropyridazine-3-amido]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
D223-0963 Screening compound: methyl 2-[1-(4-fluorophenyl)-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 D223-0963
methyl 2-[1-(4-fluorophenyl)-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

D223-0963

Molecular Formula

C21H18FN3O4S (C21 H18 FN3 O4 S)

Compound Name

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

IUPAC name

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

SMILES

COC(c1c(NC(C(C(C=C2)=O)=NN2c(cc2)ccc2F)=O)sc2c1CCCC2)=O

InChI

InChI=1S/C21H18FN3O4S/c1-29-21(28)17-14-4-2-3-5-16(14)30-20(17)23-19(27)18-15(26)10-11-25(24-18)13-8-6-12(22)7-9-13/h6-11H,2-5H2,1H3,(H,23,27)

InChI Key

DADGFEFZAXONIV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD08292908

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

427.46

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.626

Distribution Coefficient, logD

-1.887

Water Solubility, LogSw

-4.26

Polar Surface Area

70.629

Acid Dissociation Constant (pKa)

1.89

Base Dissociation Constant (pKb)

-1.24

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.80

D223-0963 in Drug Discovery

Included in Screening Libraries

Targeted Diversity Library (40567 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with D223-0963 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D223-0963?
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What is the minimum amount of D223-0963 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D223-0963
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D223-0963
  • 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 D223-0963 available by request