D223-0561 Screening compound: 1-(4-methylphenyl)-4-oxo-N-[5-(propylsulfanyl)-1,3,4-thiadiazol-2-yl]-1,4-dihydropyridazine-3-carboxamide

D223-0561 Screening compound: 1-(4-methylphenyl)-4-oxo-N-[5-(propylsulfanyl)-1,3,4-thiadiazol-2-yl]-1,4-dihydropyridazine-3-carboxamide
D223-0561 Screening compound: 1-(4-methylphenyl)-4-oxo-N-[5-(propylsulfanyl)-1,3,4-thiadiazol-2-yl]-1,4-dihydropyridazine-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D223-0561
1-(4-methylphenyl)-4-oxo-N-[5-(propylsulfanyl)-1,3,4-thiadiazol-2-yl]-1,4-dihydropyridazine-3-carboxamide

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

D223-0561

Molecular Formula

C17H17N5O2S2 (C17 H17 N5 O2 S2)

Compound Name

1-(4-methylphenyl)-4-oxo-N-[5-(propylsulfanyl)-1,3,4-thiadiazol-2-yl]-1,4-dihydropyridazine-3-carboxamide

IUPAC name

1-(4-methylphenyl)-4-oxo-N-[5-(propylsulfanyl)-134-thiadiazol-2-yl]-14-dihydropyridazine-3-carboxamide

SMILES

CCCSc1nnc(NC(C(C(C=C2)=O)=NN2c2ccc(C)cc2)=O)s1

InChI

InChI=1S/C17H17N5O2S2/c1-3-10-25-17-20-19-16(26-17)18-15(24)14-13(23)8-9-22(21-14)12-6-4-11(2)5-7-12/h4-9H,3,10H2,1-2H3,(H,18,19,24)

InChI Key

YTOVOXBSLDBQLC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD08549217

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

387.49

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.046

Distribution Coefficient, logD

2.842

Water Solubility, LogSw

-3.86

Polar Surface Area

72.646

Acid Dissociation Constant (pKa)

6.22

Base Dissociation Constant (pKb)

-0.03

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.50

References: we are preparing a list of scientific research reports with D223-0561 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D223-0561?
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What is the minimum amount of D223-0561 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D223-0561
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D223-0561
  • 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 D223-0561 available by request