4903-2172 Screening compound: 5-{4-[(4-bromophenyl)amino]phthalazin-1-yl}-2-methyl-N-[(oxolan-2-yl)methyl]benzene-1-sulfonamide

4903-2172 Screening compound: 5-{4-[(4-bromophenyl)amino]phthalazin-1-yl}-2-methyl-N-[(oxolan-2-yl)methyl]benzene-1-sulfonamide
4903-2172 Screening compound: 5-{4-[(4-bromophenyl)amino]phthalazin-1-yl}-2-methyl-N-[(oxolan-2-yl)methyl]benzene-1-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 4903-2172
5-{4-[(4-bromophenyl)amino]phthalazin-1-yl}-2-methyl-N-[(oxolan-2-yl)methyl]benzene-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

4903-2172

Molecular Formula

C26H25BrN4O3S (C26 H25 BrN4 O3 S)

Compound Name

5-{4-[(4-bromophenyl)amino]phthalazin-1-yl}-2-methyl-N-[(oxolan-2-yl)methyl]benzene-1-sulfonamide

IUPAC name

5-{4-[(4-bromophenyl)amino]phthalazin-1-yl}-2-methyl-N-[(oxolan-2-yl)methyl]benzene-1-sulfonamide

SMILES

Cc(ccc(-c(c1ccccc11)nnc1Nc(cc1)ccc1Br)c1)c1S(NCC1OCCC1)(=O)=O

InChI

InChI=1S/C26H25BrN4O3S/c1-17-8-9-18(15-24(17)35(32,33)28-16-21-5-4-14-34-21)25-22-6-2-3-7-23(22)26(31-30-25)29-20-12-10-19(27)11-13-20/h2-3,6-13,15,21,28H,4-5,14,16H2,1H3,(H,29,31)/t21-/m1/s1

InChI Key

GDXIDYBIPLBDEV-OAQYLSRUSA-N

MDL Number (MFCD)

MFCD03288119

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

553.48

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.511

Distribution Coefficient, logD

5.511

Water Solubility, LogSw

-5.70

Polar Surface Area

82.174

Acid Dissociation Constant (pKa)

10.60

Base Dissociation Constant (pKb)

4.18

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

23.10

4903-2172 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Antiviral Annotated Library (21441 compounds)

Human Proteases Annotated Library (2868 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 4903-2172 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4903-2172?
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What is the minimum amount of 4903-2172 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4903-2172
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4903-2172
  • 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 4903-2172 available by request