4903-2167 Screening compound: 5-{4-[(2,5-dimethylphenyl)amino]phthalazin-1-yl}-2-methyl-N-[(oxolan-2-yl)methyl]benzene-1-sulfonamide

4903-2167 Screening compound: 5-{4-[(2,5-dimethylphenyl)amino]phthalazin-1-yl}-2-methyl-N-[(oxolan-2-yl)methyl]benzene-1-sulfonamide
4903-2167 Screening compound: 5-{4-[(2,5-dimethylphenyl)amino]phthalazin-1-yl}-2-methyl-N-[(oxolan-2-yl)methyl]benzene-1-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 4903-2167
5-{4-[(2,5-dimethylphenyl)amino]phthalazin-1-yl}-2-methyl-N-[(oxolan-2-yl)methyl]benzene-1-sulfonamide

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

4903-2167

Molecular Formula

C28H30N4O3S (C28 H30 N4 O3 S)

Compound Name

5-{4-[(2,5-dimethylphenyl)amino]phthalazin-1-yl}-2-methyl-N-[(oxolan-2-yl)methyl]benzene-1-sulfonamide

IUPAC name

5-{4-[(25-dimethylphenyl)amino]phthalazin-1-yl}-2-methyl-N-[(oxolan-2-yl)methyl]benzene-1-sulfonamide

SMILES

Cc1cc(Nc2nnc(-c3cc(S(NCC4OCCC4)(=O)=O)c(C)cc3)c3ccccc23)c(C)cc1

InChI

InChI=1S/C28H30N4O3S/c1-18-10-11-19(2)25(15-18)30-28-24-9-5-4-8-23(24)27(31-32-28)21-13-12-20(3)26(16-21)36(33,34)29-17-22-7-6-14-35-22/h4-5,8-13,15-16,22,29H,6-7,14,17H2,1-3H3,(H,30,32)/t22-/m1/s1

InChI Key

XNPFYSZZVVNUGC-JOCHJYFZSA-N

MDL Number (MFCD)

MFCD03300465

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

502.64

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.036

Distribution Coefficient, logD

5.032

Water Solubility, LogSw

-4.87

Polar Surface Area

81.476

Acid Dissociation Constant (pKa)

10.60

Base Dissociation Constant (pKb)

5.32

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

28.60

4903-2167 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

3D-Pharmacophore Based Diversity Library (49813 compounds)

CNS Targets (44014 compounds)

CNS targets activity set (6557 compounds)

KRAS-Targeted Library (16000 compounds)

Selective Target Activity Profiling Library (14702 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Ion Channels Focused Library (26372 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Nervous system
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Nervous system
  • Cardiovascular
Targets:
  • Kinases
  • Ion Channels

References: we are preparing a list of scientific research reports with 4903-2167 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4903-2167?
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What is the minimum amount of 4903-2167 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4903-2167
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4903-2167
  • 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 4903-2167 available by request