V003-5530 Screening compound: 3-{[5-(3,5-dimethylphenoxy)-3-oxo-2-phenyl-2,3-dihydropyridazin-4-yl]amino}-N-[2-(morpholin-4-yl)ethyl]benzamide

V003-5530 Screening compound: 3-{[5-(3,5-dimethylphenoxy)-3-oxo-2-phenyl-2,3-dihydropyridazin-4-yl]amino}-N-[2-(morpholin-4-yl)ethyl]benzamide
V003-5530 Screening compound: 3-{[5-(3,5-dimethylphenoxy)-3-oxo-2-phenyl-2,3-dihydropyridazin-4-yl]amino}-N-[2-(morpholin-4-yl)ethyl]benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V003-5530
3-{[5-(3,5-dimethylphenoxy)-3-oxo-2-phenyl-2,3-dihydropyridazin-4-yl]amino}-N-[2-(morpholin-4-yl)ethyl]benzamide

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

V003-5530

Molecular Formula

C31H33N5O4 (C31 H33 N5 O4)

Compound Name

3-{[5-(3,5-dimethylphenoxy)-3-oxo-2-phenyl-2,3-dihydropyridazin-4-yl]amino}-N-[2-(morpholin-4-yl)ethyl]benzamide

IUPAC name

3-{[5-(35-dimethylphenoxy)-3-oxo-2-phenyl-23-dihydropyridazin-4-yl]amino}-N-[2-(morpholin-4-yl)ethyl]benzamide

SMILES

Cc1cc(OC(C=NN(c2ccccc2)C2=O)=C2Nc2cc(C(NCCN3CCOCC3)=O)ccc2)cc(C)c1

InChI

InChI=1S/C31H33N5O4/c1-22-17-23(2)19-27(18-22)40-28-21-33-36(26-9-4-3-5-10-26)31(38)29(28)34-25-8-6-7-24(20-25)30(37)32-11-12-35-13-15-39-16-14-35/h3-10,17-21,34H,11-16H2,1-2H3,(H,32,37)

InChI Key

KGCZJSQRBBEGTP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19828087

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

539.63

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

3.971

Distribution Coefficient, logD

3.941

Water Solubility, LogSw

-4.03

Polar Surface Area

79.462

Acid Dissociation Constant (pKa)

11.18

Base Dissociation Constant (pKb)

6.26

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.80

V003-5530 in Drug Discovery

Included in Screening Libraries

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • Phosphatases

References: we are preparing a list of scientific research reports with V003-5530 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V003-5530?
Check Price and Availability of V003-5530, 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 V003-5530 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V003-5530
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V003-5530
  • 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 V003-5530 available by request