4109-1985 Screening compound: N-(2,5-dimethylphenyl)-4-[4-methyl-3-(piperidine-1-sulfonyl)phenyl]phthalazin-1-amine

4109-1985 Screening compound: N-(2,5-dimethylphenyl)-4-[4-methyl-3-(piperidine-1-sulfonyl)phenyl]phthalazin-1-amine
4109-1985 Screening compound: N-(2,5-dimethylphenyl)-4-[4-methyl-3-(piperidine-1-sulfonyl)phenyl]phthalazin-1-amine alternative view

Chemical Structure Depiction of ChemDiv screening compound 4109-1985
N-(2,5-dimethylphenyl)-4-[4-methyl-3-(piperidine-1-sulfonyl)phenyl]phthalazin-1-amine

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

4109-1985

Molecular Formula

C28H30N4O2S (C28 H30 N4 O2 S)

Compound Name

N-(2,5-dimethylphenyl)-4-[4-methyl-3-(piperidine-1-sulfonyl)phenyl]phthalazin-1-amine

IUPAC name

N-(25-dimethylphenyl)-4-[4-methyl-3-(piperidine-1-sulfonyl)phenyl]phthalazin-1-amine

SMILES

Cc1cc(Nc2nnc(-c3cc(S(N4CCCCC4)(=O)=O)c(C)cc3)c3ccccc23)c(C)cc1

InChI

InChI=1S/C28H30N4O2S/c1-19-11-12-20(2)25(17-19)29-28-24-10-6-5-9-23(24)27(30-31-28)22-14-13-21(3)26(18-22)35(33,34)32-15-7-4-8-16-32/h5-6,9-14,17-18H,4,7-8,15-16H2,1-3H3,(H,29,31)

InChI Key

ODULARVKZJMUHN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02233810

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

486.64

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.832

Distribution Coefficient, logD

5.829

Water Solubility, LogSw

-5.72

Polar Surface Area

62.774

Acid Dissociation Constant (pKa)

20.15

Base Dissociation Constant (pKb)

5.32

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

28.60

4109-1985 in Drug Discovery

Included in Screening Libraries

CNS targets activity set (6557 compounds)

Human Proteases Annotated Library (2868 compounds)

Selective Target Activity Profiling Library (14702 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 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 4109-1985 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4109-1985?
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What is the minimum amount of 4109-1985 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4109-1985
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4109-1985
  • 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 4109-1985 available by request