4903-2122 Screening compound: N-(4-bromophenyl)-4-{4-methyl-3-[(4-methylpiperazin-1-yl)sulfonyl]phenyl}phthalazin-1-amine

4903-2122 Screening compound: N-(4-bromophenyl)-4-{4-methyl-3-[(4-methylpiperazin-1-yl)sulfonyl]phenyl}phthalazin-1-amine
4903-2122 Screening compound: N-(4-bromophenyl)-4-{4-methyl-3-[(4-methylpiperazin-1-yl)sulfonyl]phenyl}phthalazin-1-amine alternative view

Chemical Structure Depiction of ChemDiv screening compound 4903-2122
N-(4-bromophenyl)-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

4903-2122

Molecular Formula

C26H26BrN5O2S (C26 H26 BrN5 O2 S)

Compound Name

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

IUPAC name

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

SMILES

Cc(ccc(-c(c1ccccc11)nnc1Nc(cc1)ccc1Br)c1)c1S(N1CCN(C)CC1)(=O)=O

InChI

InChI=1S/C26H26BrN5O2S/c1-18-7-8-19(17-24(18)35(33,34)32-15-13-31(2)14-16-32)25-22-5-3-4-6-23(22)26(30-29-25)28-21-11-9-20(27)10-12-21/h3-12,17H,13-16H2,1-2H3,(H,28,30)

InChI Key

OJZOONCJIJILRG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03007186

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

552.49

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

5.212

Distribution Coefficient, logD

5.150

Water Solubility, LogSw

-5.28

Polar Surface Area

66.948

Acid Dissociation Constant (pKa)

18.41

Base Dissociation Constant (pKb)

6.59

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.10

4903-2122 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Anticancer Library (62698 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

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

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Cancer

References: we are preparing a list of scientific research reports with 4903-2122 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4903-2122?
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What is the minimum amount of 4903-2122 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4903-2122
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4903-2122
  • 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 4903-2122 available by request