5498-2797 Screening compound: 5-(4-{[4-methoxy-3-(piperidine-1-carbonyl)phenyl]amino}phthalazin-1-yl)-2-methyl-N-(propan-2-yl)benzene-1-sulfonamide

5498-2797 Screening compound: 5-(4-{[4-methoxy-3-(piperidine-1-carbonyl)phenyl]amino}phthalazin-1-yl)-2-methyl-N-(propan-2-yl)benzene-1-sulfonamide
5498-2797 Screening compound: 5-(4-{[4-methoxy-3-(piperidine-1-carbonyl)phenyl]amino}phthalazin-1-yl)-2-methyl-N-(propan-2-yl)benzene-1-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 5498-2797
5-(4-{[4-methoxy-3-(piperidine-1-carbonyl)phenyl]amino}phthalazin-1-yl)-2-methyl-N-(propan-2-yl)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

5498-2797

Molecular Formula

C31H35N5O4S (C31 H35 N5 O4 S)

Compound Name

5-(4-{[4-methoxy-3-(piperidine-1-carbonyl)phenyl]amino}phthalazin-1-yl)-2-methyl-N-(propan-2-yl)benzene-1-sulfonamide

IUPAC name

5-(4-{[4-methoxy-3-(piperidine-1-carbonyl)phenyl]amino}phthalazin-1-yl)-2-methyl-N-(propan-2-yl)benzene-1-sulfonamide

SMILES

CC(C)NS(c1c(C)ccc(-c(c2ccccc22)nnc2Nc(cc2)cc(C(N3CCCCC3)=O)c2OC)c1)(=O)=O

InChI

InChI=1S/C31H35N5O4S/c1-20(2)35-41(38,39)28-18-22(13-12-21(28)3)29-24-10-6-7-11-25(24)30(34-33-29)32-23-14-15-27(40-4)26(19-23)31(37)36-16-8-5-9-17-36/h6-7,10-15,18-20,35H,5,8-9,16-17H2,1-4H3,(H,32,34)

InChI Key

ZAZONURNDOQKTF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03663362

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

573.72

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

5.255

Distribution Coefficient, logD

5.255

Water Solubility, LogSw

-5.13

Polar Surface Area

97.257

Acid Dissociation Constant (pKa)

10.21

Base Dissociation Constant (pKb)

3.73

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

32.30

5498-2797 in Drug Discovery

Included in Screening Libraries

C-Met Library (15277 compounds)

Aurora A-B Kinases Targeted Library (9426 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Endocrine
  • Cancer
  • Digestive system
  • Male
  • Female
  • Hemic and lymphatic
Targets:
  • Kinases
  • Kinases
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with 5498-2797 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5498-2797?
Check Price and Availability of 5498-2797, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of 5498-2797 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5498-2797
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5498-2797
  • 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 5498-2797 available by request