3544-1277 Screening compound: methyl 4-[(4-{4-[(2-hydroxyethyl)carbamoyl]phenyl}phthalazin-1-yl)amino]benzoate

3544-1277 Screening compound: methyl 4-[(4-{4-[(2-hydroxyethyl)carbamoyl]phenyl}phthalazin-1-yl)amino]benzoate
3544-1277 Screening compound: methyl 4-[(4-{4-[(2-hydroxyethyl)carbamoyl]phenyl}phthalazin-1-yl)amino]benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 3544-1277
methyl 4-[(4-{4-[(2-hydroxyethyl)carbamoyl]phenyl}phthalazin-1-yl)amino]benzoate

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

3544-1277

Molecular Formula

C25H22N4O4 (C25 H22 N4 O4)

Compound Name

methyl 4-[(4-{4-[(2-hydroxyethyl)carbamoyl]phenyl}phthalazin-1-yl)amino]benzoate

IUPAC name

methyl 4-[(4-{4-[(2-hydroxyethyl)carbamoyl]phenyl}phthalazin-1-yl)amino]benzoate

SMILES

COC(c(cc1)ccc1Nc1nnc(-c(cc2)ccc2C(NCCO)=O)c2ccccc12)=O

InChI

InChI=1S/C25H22N4O4/c1-33-25(32)18-10-12-19(13-11-18)27-23-21-5-3-2-4-20(21)22(28-29-23)16-6-8-17(9-7-16)24(31)26-14-15-30/h2-13,30H,14-15H2,1H3,(H,26,31)(H,27,29)

InChI Key

QEDJXTLJGQTACA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02216704

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

442.47

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.144

Distribution Coefficient, logD

3.144

Water Solubility, LogSw

-3.37

Polar Surface Area

94.117

Acid Dissociation Constant (pKa)

13.89

Base Dissociation Constant (pKb)

4.18

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

12.00

3544-1277 in Drug Discovery

Included in Screening Libraries

Angiogenesis library (14822 compounds)

Anticancer Library (62698 compounds)

Aurora A-B Kinases Targeted Library (9426 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Cancer
  • Cancer
  • Digestive system
  • Male
  • Female
  • Hemic and lymphatic
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with 3544-1277 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3544-1277?
Check Price and Availability of 3544-1277, 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 3544-1277 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3544-1277
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3544-1277
  • 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 3544-1277 available by request