4109-1997 Screening compound: N-(4-bromophenyl)-4-[4-methyl-3-(piperidine-1-sulfonyl)phenyl]phthalazin-1-amine

4109-1997 Screening compound: N-(4-bromophenyl)-4-[4-methyl-3-(piperidine-1-sulfonyl)phenyl]phthalazin-1-amine
4109-1997 Screening compound: N-(4-bromophenyl)-4-[4-methyl-3-(piperidine-1-sulfonyl)phenyl]phthalazin-1-amine alternative view

Chemical Structure Depiction of ChemDiv screening compound 4109-1997
N-(4-bromophenyl)-4-[4-methyl-3-(piperidine-1-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

4109-1997

Molecular Formula

C26H25BrN4O2S (C26 H25 BrN4 O2 S)

Compound Name

N-(4-bromophenyl)-4-[4-methyl-3-(piperidine-1-sulfonyl)phenyl]phthalazin-1-amine

IUPAC name

N-(4-bromophenyl)-4-[4-methyl-3-(piperidine-1-sulfonyl)phenyl]phthalazin-1-amine

SMILES

Cc(ccc(-c(c1ccccc11)nnc1Nc(cc1)ccc1Br)c1)c1S(N1CCCCC1)(=O)=O

InChI

InChI=1S/C26H25BrN4O2S/c1-18-9-10-19(17-24(18)34(32,33)31-15-5-2-6-16-31)25-22-7-3-4-8-23(22)26(30-29-25)28-21-13-11-20(27)12-14-21/h3-4,7-14,17H,2,5-6,15-16H2,1H3,(H,28,30)

InChI Key

NBEBFPIZAZMVFL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02237926

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

537.48

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

6.308

Distribution Coefficient, logD

6.308

Water Solubility, LogSw

-5.74

Polar Surface Area

63.472

Acid Dissociation Constant (pKa)

18.41

Base Dissociation Constant (pKb)

4.18

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.10

4109-1997 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 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

References: we are preparing a list of scientific research reports with 4109-1997 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4109-1997?
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What is the minimum amount of 4109-1997 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4109-1997
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4109-1997
  • 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 4109-1997 available by request