4903-2126 Screening compound: N-(2H-1,3-benzodioxol-5-yl)-4-{4-methyl-3-[(4-methylpiperazin-1-yl)sulfonyl]phenyl}phthalazin-1-amine

4903-2126 Screening compound: N-(2H-1,3-benzodioxol-5-yl)-4-{4-methyl-3-[(4-methylpiperazin-1-yl)sulfonyl]phenyl}phthalazin-1-amine
4903-2126 Screening compound: N-(2H-1,3-benzodioxol-5-yl)-4-{4-methyl-3-[(4-methylpiperazin-1-yl)sulfonyl]phenyl}phthalazin-1-amine alternative view

Chemical Structure Depiction of ChemDiv screening compound 4903-2126
N-(2H-1,3-benzodioxol-5-yl)-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

4903-2126

Molecular Formula

C27H27N5O4S (C27 H27 N5 O4 S)

Compound Name

N-(2H-1,3-benzodioxol-5-yl)-4-{4-methyl-3-[(4-methylpiperazin-1-yl)sulfonyl]phenyl}phthalazin-1-amine

IUPAC name

N-(2H-13-benzodioxol-5-yl)-4-{4-methyl-3-[(4-methylpiperazin-1-yl)sulfonyl]phenyl}phthalazin-1-amine

SMILES

Cc(ccc(-c(c1ccccc11)nnc1Nc(cc1)cc2c1OCO2)c1)c1S(N1CCN(C)CC1)(=O)=O

InChI

InChI=1S/C27H27N5O4S/c1-18-7-8-19(15-25(18)37(33,34)32-13-11-31(2)12-14-32)26-21-5-3-4-6-22(21)27(30-29-26)28-20-9-10-23-24(16-20)36-17-35-23/h3-10,15-16H,11-14,17H2,1-2H3,(H,28,30)

InChI Key

RWOWHAMOIPXVCQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03008779

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

517.61

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

4.212

Distribution Coefficient, logD

4.149

Water Solubility, LogSw

-4.27

Polar Surface Area

84.064

Acid Dissociation Constant (pKa)

18.90

Base Dissociation Constant (pKb)

6.59

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.90

4903-2126 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

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

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer

References: we are preparing a list of scientific research reports with 4903-2126 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4903-2126?
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What is the minimum amount of 4903-2126 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4903-2126
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4903-2126
  • 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 4903-2126 available by request