P040-0618 Screening compound: 2-[(2,5-dimethylphenyl)methyl]-6-(3-methyl-1,2,4-oxadiazol-5-yl)-2,3-dihydropyridazin-3-one

P040-0618 Screening compound: 2-[(2,5-dimethylphenyl)methyl]-6-(3-methyl-1,2,4-oxadiazol-5-yl)-2,3-dihydropyridazin-3-one
P040-0618 Screening compound: 2-[(2,5-dimethylphenyl)methyl]-6-(3-methyl-1,2,4-oxadiazol-5-yl)-2,3-dihydropyridazin-3-one alternative view

Chemical Structure Depiction of ChemDiv screening compound P040-0618
2-[(2,5-dimethylphenyl)methyl]-6-(3-methyl-1,2,4-oxadiazol-5-yl)-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

P040-0618

Molecular Formula

C16H16N4O2 (C16 H16 N4 O2)

Compound Name

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

IUPAC name

2-[(25-dimethylphenyl)methyl]-6-(3-methyl-124-oxadiazol-5-yl)-23-dihydropyridazin-3-one

SMILES

Cc1noc(C(C=C2)=NN(Cc3c(C)ccc(C)c3)C2=O)n1

InChI

InChI=1S/C16H16N4O2/c1-10-4-5-11(2)13(8-10)9-20-15(21)7-6-14(18-20)16-17-12(3)19-22-16/h4-8H,9H2,1-3H3

InChI Key

CROYBMSDDQBHFZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27559929

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

296.33

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.906

Distribution Coefficient, logD

2.906

Water Solubility, LogSw

-2.88

Polar Surface Area

60.109

Acid Dissociation Constant (pKa)

22.12

Base Dissociation Constant (pKb)

2.06

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

P040-0618 in Drug Discovery

Included in Screening Libraries

BRD4 Targeted Library (4534 compounds)

Fragments Library (11262 compounds)

SmartTM Library (51161 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Hemic and lymphatic
  • Cardiovascular
  • Metabolic
Targets:
  • Others
Structure:
  • Fragments

References: we are preparing a list of scientific research reports with P040-0618 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P040-0618?
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What is the minimum amount of P040-0618 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P040-0618
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P040-0618
  • 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 P040-0618 available by request