P040-0329 Screening compound: 6-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]-2-methyl-2,3-dihydropyridazin-3-one

P040-0329 Screening compound: 6-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]-2-methyl-2,3-dihydropyridazin-3-one
P040-0329 Screening compound: 6-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]-2-methyl-2,3-dihydropyridazin-3-one alternative view

Chemical Structure Depiction of ChemDiv screening compound P040-0329
6-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]-2-methyl-2,3-dihydropyridazin-3-one

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

P040-0329

Molecular Formula

C13H9ClN4O2 (C13 H9 ClN4 O2)

Compound Name

6-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]-2-methyl-2,3-dihydropyridazin-3-one

IUPAC name

6-[3-(3-chlorophenyl)-124-oxadiazol-5-yl]-2-methyl-23-dihydropyridazin-3-one

SMILES

CN(C(C=C1)=O)N=C1c1nc(-c2cccc(Cl)c2)no1

InChI

InChI=1S/C13H9ClN4O2/c1-18-11(19)6-5-10(16-18)13-15-12(17-20-13)8-3-2-4-9(14)7-8/h2-7H,1H3

InChI Key

JDIXTQPQRLKRIJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27559887

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

288.69

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.963

Distribution Coefficient, logD

2.963

Water Solubility, LogSw

-3.47

Polar Surface Area

60.175

Acid Dissociation Constant (pKa)

26.37

Base Dissociation Constant (pKb)

1.46

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

7.70

P040-0329 in Drug Discovery

Included in Screening Libraries

Fragments Library (11262 compounds)

SmartTM Library (51161 compounds)

Included in 1.7M Stock Database

Structure:
  • Fragments

References: we are preparing a list of scientific research reports with P040-0329 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P040-0329?
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What is the minimum amount of P040-0329 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P040-0329
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P040-0329
  • 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 P040-0329 available by request