4903-2136 Screening compound: N-[(1H-1,3-benzodiazol-2-yl)methyl]-5-{4-[(4-hydroxyphenyl)amino]phthalazin-1-yl}-2-methylbenzene-1-sulfonamide

4903-2136 Screening compound: N-[(1H-1,3-benzodiazol-2-yl)methyl]-5-{4-[(4-hydroxyphenyl)amino]phthalazin-1-yl}-2-methylbenzene-1-sulfonamide
4903-2136 Screening compound: N-[(1H-1,3-benzodiazol-2-yl)methyl]-5-{4-[(4-hydroxyphenyl)amino]phthalazin-1-yl}-2-methylbenzene-1-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 4903-2136
N-[(1H-1,3-benzodiazol-2-yl)methyl]-5-{4-[(4-hydroxyphenyl)amino]phthalazin-1-yl}-2-methylbenzene-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

4903-2136

Molecular Formula

C29H24N6O3S (C29 H24 N6 O3 S)

Compound Name

N-[(1H-1,3-benzodiazol-2-yl)methyl]-5-{4-[(4-hydroxyphenyl)amino]phthalazin-1-yl}-2-methylbenzene-1-sulfonamide

IUPAC name

N-[(1H-13-benzodiazol-2-yl)methyl]-5-{4-[(4-hydroxyphenyl)amino]phthalazin-1-yl}-2-methylbenzene-1-sulfonamide

SMILES

Cc(ccc(-c(c1ccccc11)nnc1Nc(cc1)ccc1O)c1)c1S(NCc1nc(cccc2)c2[nH]1)(=O)=O

InChI

InChI=1S/C29H24N6O3S/c1-18-10-11-19(16-26(18)39(37,38)30-17-27-32-24-8-4-5-9-25(24)33-27)28-22-6-2-3-7-23(22)29(35-34-28)31-20-12-14-21(36)15-13-20/h2-16,30,36H,17H2,1H3,(H,31,35)(H,32,33)

InChI Key

KQVWJGDQZXONDN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03286864

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

536.61

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

4.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

5.250

Distribution Coefficient, logD

5.136

Water Solubility, LogSw

-5.05

Polar Surface Area

111.418

Acid Dissociation Constant (pKa)

7.99

Base Dissociation Constant (pKb)

5.98

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

6.90

4903-2136 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

Protein Arginine Methyltransferases Library (27925 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Covalent Inhibitors Library (7986 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Metabolic
Targets:
  • Others
Mechanism of action:
  • Epigenetic
Structure:
  • Cyclic compounds
  • 3D
  • Fragments

References: we are preparing a list of scientific research reports with 4903-2136 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4903-2136?
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What is the minimum amount of 4903-2136 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4903-2136
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4903-2136
  • 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 4903-2136 available by request