SC04-0087 Screening compound: 6-({3-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethoxy]piperidino}carbonyl)-4,5-dihydro-3(2H)-pyridazinone

SC04-0087 Screening compound: 6-({3-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethoxy]piperidino}carbonyl)-4,5-dihydro-3(2H)-pyridazinone
SC04-0087 Screening compound: 6-({3-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethoxy]piperidino}carbonyl)-4,5-dihydro-3(2H)-pyridazinone alternative view

Chemical Structure Depiction of ChemDiv screening compound SC04-0087
6-({3-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethoxy]piperidino}carbonyl)-4,5-dihydro-3(2H)-pyridazinone

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

SC04-0087

Molecular Formula

C15H21N5O4 (C15 H21 N5 O4)

Compound Name

6-({3-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethoxy]piperidino}carbonyl)-4,5-dihydro-3(2H)-pyridazinone

IUPAC name

6-{3-[2-(5-methyl-124-oxadiazol-3-yl)ethoxy]piperidine-1-carbonyl}-2345-tetrahydropyridazin-3-one

SMILES

Cc1nc(CCOC(CCC2)CN2C(C(CC2)=NNC2=O)=O)no1

InChI

InChI=1S/C15H21N5O4/c1-10-16-13(19-24-10)6-8-23-11-3-2-7-20(9-11)15(22)12-4-5-14(21)18-17-12/h11H,2-9H2,1H3,(H,18,21)/t11-/m0/s1

InChI Key

AUIJFKHJYPRDOA-NSHDSACASA-N

MDL Number (MFCD)

MFCD32251621

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

335.36

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

-0.334

Distribution Coefficient, logD

-0.613

Water Solubility, LogSw

-0.64

Polar Surface Area

93.056

Acid Dissociation Constant (pKa)

7.44

Base Dissociation Constant (pKb)

1.16

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

66.67

SC04-0087 in Drug Discovery

Included in Screening Libraries

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

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with SC04-0087 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SC04-0087?
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What is the minimum amount of SC04-0087 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SC04-0087
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SC04-0087
  • 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 SC04-0087 available by request