5754-3001 Screening compound: 4-[(4-{4-[(diethylcarbamoyl)methoxy]phenyl}phthalazin-1-yl)amino]benzamide

5754-3001 Screening compound: 4-[(4-{4-[(diethylcarbamoyl)methoxy]phenyl}phthalazin-1-yl)amino]benzamide
5754-3001 Screening compound: 4-[(4-{4-[(diethylcarbamoyl)methoxy]phenyl}phthalazin-1-yl)amino]benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 5754-3001
4-[(4-{4-[(diethylcarbamoyl)methoxy]phenyl}phthalazin-1-yl)amino]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

5754-3001

Molecular Formula

C27H27N5O3 (C27 H27 N5 O3)

Compound Name

4-[(4-{4-[(diethylcarbamoyl)methoxy]phenyl}phthalazin-1-yl)amino]benzamide

IUPAC name

4-[(4-{4-[(diethylcarbamoyl)methoxy]phenyl}phthalazin-1-yl)amino]benzamide

SMILES

CCN(CC)C(COc(cc1)ccc1-c(c1ccccc11)nnc1Nc(cc1)ccc1C(N)=O)=O

InChI

InChI=1S/C27H27N5O3/c1-3-32(4-2)24(33)17-35-21-15-11-18(12-16-21)25-22-7-5-6-8-23(22)27(31-30-25)29-20-13-9-19(10-14-20)26(28)34/h5-16H,3-4,17H2,1-2H3,(H2,28,34)(H,29,31)

InChI Key

ZDJMQLYDMSYAKS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03683101

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

469.54

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.989

Distribution Coefficient, logD

2.989

Water Solubility, LogSw

-3.34

Polar Surface Area

88.724

Acid Dissociation Constant (pKa)

13.85

Base Dissociation Constant (pKb)

4.18

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

18.50

5754-3001 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

Protein Kinases Inhibitors Library (36801 compounds)

Regenerative Medicine Focused Library (23016 compounds)

Aurora A-B Kinases Targeted Library (9426 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Nervous system
  • Hemic and lymphatic
  • Cardiovascular
  • Musculoskeletal
  • Digestive system
  • Hemic and lymphatic
  • Cardiovascular
  • Skin
  • wounds
  • Cancer
  • Digestive system
  • Male
  • Female
  • Hemic and lymphatic
Targets:
  • Kinases
  • Kinases

References: we are preparing a list of scientific research reports with 5754-3001 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5754-3001?
Check Price and Availability of 5754-3001, 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 5754-3001 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5754-3001
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5754-3001
  • 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 5754-3001 available by request