4903-2114 Screening compound: N-(2,4-dimethylphenyl)-4-{4-methyl-3-[(4-methylpiperazin-1-yl)sulfonyl]phenyl}phthalazin-1-amine

4903-2114 Screening compound: N-(2,4-dimethylphenyl)-4-{4-methyl-3-[(4-methylpiperazin-1-yl)sulfonyl]phenyl}phthalazin-1-amine
4903-2114 Screening compound: N-(2,4-dimethylphenyl)-4-{4-methyl-3-[(4-methylpiperazin-1-yl)sulfonyl]phenyl}phthalazin-1-amine alternative view

Chemical Structure Depiction of ChemDiv screening compound 4903-2114
N-(2,4-dimethylphenyl)-4-{4-methyl-3-[(4-methylpiperazin-1-yl)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

4903-2114

Molecular Formula

C28H31N5O2S (C28 H31 N5 O2 S)

Compound Name

N-(2,4-dimethylphenyl)-4-{4-methyl-3-[(4-methylpiperazin-1-yl)sulfonyl]phenyl}phthalazin-1-amine

IUPAC name

N-(24-dimethylphenyl)-4-{4-methyl-3-[(4-methylpiperazin-1-yl)sulfonyl]phenyl}phthalazin-1-amine

SMILES

Cc(cc1)cc(C)c1Nc1nnc(-c2cc(S(N3CCN(C)CC3)(=O)=O)c(C)cc2)c2ccccc12

InChI

InChI=1S/C28H31N5O2S/c1-19-9-12-25(21(3)17-19)29-28-24-8-6-5-7-23(24)27(30-31-28)22-11-10-20(2)26(18-22)36(34,35)33-15-13-32(4)14-16-33/h5-12,17-18H,13-16H2,1-4H3,(H,29,31)

InChI Key

CJKQXBJTSDBZCQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03296397

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

501.65

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.178

Distribution Coefficient, logD

5.115

Water Solubility, LogSw

-5.22

Polar Surface Area

66.251

Acid Dissociation Constant (pKa)

19.85

Base Dissociation Constant (pKb)

6.59

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

28.60

4903-2114 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Anticancer Library (62698 compounds)

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

KRAS-Targeted Library (16000 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

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

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Cancer
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • Kinases
  • Phosphatases

References: we are preparing a list of scientific research reports with 4903-2114 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4903-2114?
Check Price and Availability of 4903-2114, 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 4903-2114 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4903-2114
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4903-2114
  • 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 4903-2114 available by request