4109-2095 Screening compound: 2-methoxy-5-({4-[4-methyl-3-(piperidine-1-sulfonyl)phenyl]phthalazin-1-yl}amino)benzamide

4109-2095 Screening compound: 2-methoxy-5-({4-[4-methyl-3-(piperidine-1-sulfonyl)phenyl]phthalazin-1-yl}amino)benzamide
4109-2095 Screening compound: 2-methoxy-5-({4-[4-methyl-3-(piperidine-1-sulfonyl)phenyl]phthalazin-1-yl}amino)benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 4109-2095
2-methoxy-5-({4-[4-methyl-3-(piperidine-1-sulfonyl)phenyl]phthalazin-1-yl}amino)benzamide

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

4109-2095

Molecular Formula

C28H29N5O4S (C28 H29 N5 O4 S)

Compound Name

2-methoxy-5-({4-[4-methyl-3-(piperidine-1-sulfonyl)phenyl]phthalazin-1-yl}amino)benzamide

IUPAC name

2-methoxy-5-({4-[4-methyl-3-(piperidine-1-sulfonyl)phenyl]phthalazin-1-yl}amino)benzamide

SMILES

Cc(ccc(-c(c1ccccc11)nnc1Nc(cc1)cc(C(N)=O)c1OC)c1)c1S(N1CCCCC1)(=O)=O

InChI

InChI=1S/C28H29N5O4S/c1-18-10-11-19(16-25(18)38(35,36)33-14-6-3-7-15-33)26-21-8-4-5-9-22(21)28(32-31-26)30-20-12-13-24(37-2)23(17-20)27(29)34/h4-5,8-13,16-17H,3,6-7,14-15H2,1-2H3,(H2,29,34)(H,30,32)

InChI Key

CVHGQVLFURVXFH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02239935

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

531.64

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

4.190

Distribution Coefficient, logD

4.190

Water Solubility, LogSw

-4.26

Polar Surface Area

105.161

Acid Dissociation Constant (pKa)

12.94

Base Dissociation Constant (pKb)

3.73

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

4109-2095 in Drug Discovery

Included in Screening Libraries

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

C-Met Library (15277 compounds)

MCL1 Targeted Library (12200 compounds)

Protein Kinases Inhibitors Library (36801 compounds)

Aurora A-B Kinases Targeted Library (9426 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Endocrine
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Nervous system
  • Hemic and lymphatic
  • Cardiovascular
  • Cancer
  • Digestive system
  • Male
  • Female
  • Hemic and lymphatic
Targets:
  • Kinases
  • Kinases
  • Kinases
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with 4109-2095 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4109-2095?
Check Price and Availability of 4109-2095, 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 4109-2095 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4109-2095
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4109-2095
  • 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 4109-2095 available by request