6216-0149 Screening compound: 4-{3-[(4-benzylpiperidin-1-yl)sulfonyl]-4-methylphenyl}-1,2-dihydrophthalazin-1-one

6216-0149 Screening compound: 4-{3-[(4-benzylpiperidin-1-yl)sulfonyl]-4-methylphenyl}-1,2-dihydrophthalazin-1-one
6216-0149 Screening compound: 4-{3-[(4-benzylpiperidin-1-yl)sulfonyl]-4-methylphenyl}-1,2-dihydrophthalazin-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 6216-0149
4-{3-[(4-benzylpiperidin-1-yl)sulfonyl]-4-methylphenyl}-1,2-dihydrophthalazin-1-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

6216-0149

Molecular Formula

C27H27N3O3S (C27 H27 N3 O3 S)

Compound Name

4-{3-[(4-benzylpiperidin-1-yl)sulfonyl]-4-methylphenyl}-1,2-dihydrophthalazin-1-one

IUPAC name

4-{3-[(4-benzylpiperidin-1-yl)sulfonyl]-4-methylphenyl}-12-dihydrophthalazin-1-one

SMILES

Cc(ccc(C(c1c2cccc1)=NNC2=O)c1)c1S(N1CCC(Cc2ccccc2)CC1)(=O)=O

InChI

InChI=1S/C27H27N3O3S/c1-19-11-12-22(26-23-9-5-6-10-24(23)27(31)29-28-26)18-25(19)34(32,33)30-15-13-21(14-16-30)17-20-7-3-2-4-8-20/h2-12,18,21H,13-17H2,1H3,(H,29,31)

InChI Key

BLZWKBHAJQHZBP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04009496

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

473.6

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.337

Distribution Coefficient, logD

5.337

Water Solubility, LogSw

-5.38

Polar Surface Area

67.797

Acid Dissociation Constant (pKa)

10.40

Base Dissociation Constant (pKb)

3.28

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.90

6216-0149 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)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with 6216-0149 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6216-0149?
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What is the minimum amount of 6216-0149 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6216-0149
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6216-0149
  • 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 6216-0149 available by request