5754-3009 Screening compound: 5-[(4-{4-[(diethylcarbamoyl)methoxy]phenyl}phthalazin-1-yl)amino]-2-methoxybenzamide

5754-3009 Screening compound: 5-[(4-{4-[(diethylcarbamoyl)methoxy]phenyl}phthalazin-1-yl)amino]-2-methoxybenzamide
5754-3009 Screening compound: 5-[(4-{4-[(diethylcarbamoyl)methoxy]phenyl}phthalazin-1-yl)amino]-2-methoxybenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 5754-3009
5-[(4-{4-[(diethylcarbamoyl)methoxy]phenyl}phthalazin-1-yl)amino]-2-methoxybenzamide

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

5754-3009

Molecular Formula

C28H29N5O4 (C28 H29 N5 O4)

Compound Name

5-[(4-{4-[(diethylcarbamoyl)methoxy]phenyl}phthalazin-1-yl)amino]-2-methoxybenzamide

IUPAC name

5-[(4-{4-[(diethylcarbamoyl)methoxy]phenyl}phthalazin-1-yl)amino]-2-methoxybenzamide

SMILES

CCN(CC)C(COc(cc1)ccc1-c(c1ccccc11)nnc1Nc(cc1)cc(C(N)=O)c1OC)=O

InChI

InChI=1S/C28H29N5O4/c1-4-33(5-2)25(34)17-37-20-13-10-18(11-14-20)26-21-8-6-7-9-22(21)28(32-31-26)30-19-12-15-24(36-3)23(16-19)27(29)35/h6-16H,4-5,17H2,1-3H3,(H2,29,35)(H,30,32)

InChI Key

QBVQLBKVLZWTIR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03679794

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

499.57

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

3.059

Distribution Coefficient, logD

3.059

Water Solubility, LogSw

-3.44

Polar Surface Area

96.354

Acid Dissociation Constant (pKa)

12.94

Base Dissociation Constant (pKb)

3.73

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

21.40

5754-3009 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

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

C-Met Library (15277 compounds)

Protein Kinases Inhibitors Library (36801 compounds)

Aurora A-B Kinases Targeted Library (9426 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with 5754-3009 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5754-3009?
Check Price and Availability of 5754-3009, 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 5754-3009 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5754-3009
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5754-3009
  • 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 5754-3009 available by request