D223-0866 Screening compound: 1-(3-chlorophenyl)-4-oxo-N-[5-(propylsulfanyl)-1,3,4-thiadiazol-2-yl]-1,4-dihydropyridazine-3-carboxamide

D223-0866 Screening compound: 1-(3-chlorophenyl)-4-oxo-N-[5-(propylsulfanyl)-1,3,4-thiadiazol-2-yl]-1,4-dihydropyridazine-3-carboxamide
D223-0866 Screening compound: 1-(3-chlorophenyl)-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 D223-0866
1-(3-chlorophenyl)-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

D223-0866

Molecular Formula

C16H14ClN5O2S2 (C16 H14 ClN5 O2 S2)

Compound Name

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

IUPAC name

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

SMILES

CCCSc1nnc(NC(C(C(C=C2)=O)=NN2c2cccc(Cl)c2)=O)s1

InChI

InChI=1S/C16H14ClN5O2S2/c1-2-8-25-16-20-19-15(26-16)18-14(24)13-12(23)6-7-22(21-13)11-5-3-4-10(17)9-11/h3-7,9H,2,8H2,1H3,(H,18,19,24)

InChI Key

PZSMQMFJDIHPKB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD08550001

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

407.9

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

4.231

Distribution Coefficient, logD

3.027

Water Solubility, LogSw

-4.44

Polar Surface Area

72.646

Acid Dissociation Constant (pKa)

6.22

Base Dissociation Constant (pKb)

-0.94

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

18.80

D223-0866 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with D223-0866 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D223-0866?
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What is the minimum amount of D223-0866 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D223-0866
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D223-0866
  • 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 D223-0866 available by request