4109-1995 Screening compound: 3-({4-[4-methyl-3-(piperidine-1-sulfonyl)phenyl]phthalazin-1-yl}amino)phenol

4109-1995 Screening compound: 3-({4-[4-methyl-3-(piperidine-1-sulfonyl)phenyl]phthalazin-1-yl}amino)phenol
4109-1995 Screening compound: 3-({4-[4-methyl-3-(piperidine-1-sulfonyl)phenyl]phthalazin-1-yl}amino)phenol alternative view

Chemical Structure Depiction of ChemDiv screening compound 4109-1995
3-({4-[4-methyl-3-(piperidine-1-sulfonyl)phenyl]phthalazin-1-yl}amino)phenol

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

4109-1995

Molecular Formula

C26H26N4O3S (C26 H26 N4 O3 S)

Compound Name

3-({4-[4-methyl-3-(piperidine-1-sulfonyl)phenyl]phthalazin-1-yl}amino)phenol

IUPAC name

3-({4-[4-methyl-3-(piperidine-1-sulfonyl)phenyl]phthalazin-1-yl}amino)phenol

SMILES

Cc(ccc(-c(c1ccccc11)nnc1Nc1cc(O)ccc1)c1)c1S(N1CCCCC1)(=O)=O

InChI

InChI=1S/C26H26N4O3S/c1-18-12-13-19(16-24(18)34(32,33)30-14-5-2-6-15-30)25-22-10-3-4-11-23(22)26(29-28-25)27-20-8-7-9-21(31)17-20/h3-4,7-13,16-17,31H,2,5-6,14-15H2,1H3,(H,27,29)

InChI Key

VGBFSXKEXQYJIG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02237472

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

474.58

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.858

Distribution Coefficient, logD

4.854

Water Solubility, LogSw

-4.38

Polar Surface Area

81.089

Acid Dissociation Constant (pKa)

9.48

Base Dissociation Constant (pKb)

4.08

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.10

4109-1995 in Drug Discovery

Included in Screening Libraries

Antiviral Annotated Library (21441 compounds)

CNS targets activity set (6557 compounds)

Protein Kinases Inhibitors Library (36801 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Nervous system
  • Hemic and lymphatic
  • Cardiovascular
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with 4109-1995 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4109-1995?
Check Price and Availability of 4109-1995, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of 4109-1995 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4109-1995
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4109-1995
  • 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 4109-1995 available by request