4903-2230 Screening compound: 5-{4-[(2H-1,3-benzodioxol-5-yl)amino]phthalazin-1-yl}-N,2-dimethylbenzene-1-sulfonamide

4903-2230 Screening compound: 5-{4-[(2H-1,3-benzodioxol-5-yl)amino]phthalazin-1-yl}-N,2-dimethylbenzene-1-sulfonamide
4903-2230 Screening compound: 5-{4-[(2H-1,3-benzodioxol-5-yl)amino]phthalazin-1-yl}-N,2-dimethylbenzene-1-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 4903-2230
5-{4-[(2H-1,3-benzodioxol-5-yl)amino]phthalazin-1-yl}-N,2-dimethylbenzene-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

4903-2230

Molecular Formula

C23H20N4O4S (C23 H20 N4 O4 S)

Compound Name

5-{4-[(2H-1,3-benzodioxol-5-yl)amino]phthalazin-1-yl}-N,2-dimethylbenzene-1-sulfonamide

IUPAC name

5-{4-[(2H-13-benzodioxol-5-yl)amino]phthalazin-1-yl}-N2-dimethylbenzene-1-sulfonamide

SMILES

Cc(ccc(-c(c1ccccc11)nnc1Nc(cc1)cc2c1OCO2)c1)c1S(NC)(=O)=O

InChI

InChI=1S/C23H20N4O4S/c1-14-7-8-15(11-21(14)32(28,29)24-2)22-17-5-3-4-6-18(17)23(27-26-22)25-16-9-10-19-20(12-16)31-13-30-19/h3-12,24H,13H2,1-2H3,(H,25,27)

InChI Key

YGSDQHAJSZKNPR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03286707

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

448.5

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.233

Distribution Coefficient, logD

4.232

Water Solubility, LogSw

-4.36

Polar Surface Area

90.026

Acid Dissociation Constant (pKa)

10.38

Base Dissociation Constant (pKb)

4.08

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

13.00

4903-2230 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

KRAS-Targeted Library (16000 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with 4903-2230 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4903-2230?
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What is the minimum amount of 4903-2230 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4903-2230
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4903-2230
  • 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 4903-2230 available by request