4109-2100 Screening compound: ethyl 2-(5-{4-[(3-carbamoyl-4-methoxyphenyl)amino]phthalazin-1-yl}-2-methylbenzenesulfonamido)acetate

4109-2100 Screening compound: ethyl 2-(5-{4-[(3-carbamoyl-4-methoxyphenyl)amino]phthalazin-1-yl}-2-methylbenzenesulfonamido)acetate
4109-2100 Screening compound: ethyl 2-(5-{4-[(3-carbamoyl-4-methoxyphenyl)amino]phthalazin-1-yl}-2-methylbenzenesulfonamido)acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound 4109-2100
ethyl 2-(5-{4-[(3-carbamoyl-4-methoxyphenyl)amino]phthalazin-1-yl}-2-methylbenzenesulfonamido)acetate

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

4109-2100

Molecular Formula

C27H27N5O6S (C27 H27 N5 O6 S)

Compound Name

ethyl 2-(5-{4-[(3-carbamoyl-4-methoxyphenyl)amino]phthalazin-1-yl}-2-methylbenzenesulfonamido)acetate

IUPAC name

ethyl 2-(5-{4-[(3-carbamoyl-4-methoxyphenyl)amino]phthalazin-1-yl}-2-methylbenzenesulfonamido)acetate

SMILES

CCOC(CNS(c1c(C)ccc(-c(c2ccccc22)nnc2Nc(cc2)cc(C(N)=O)c2OC)c1)(=O)=O)=O

InChI

InChI=1S/C27H27N5O6S/c1-4-38-24(33)15-29-39(35,36)23-13-17(10-9-16(23)2)25-19-7-5-6-8-20(19)27(32-31-25)30-18-11-12-22(37-3)21(14-18)26(28)34/h5-14,29H,4,15H2,1-3H3,(H2,28,34)(H,30,32)

InChI Key

MQKLYIVEGBNYFI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02240167

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

549.61

Hydrogen Bond Acceptors Count

13.00

Hydrogen Bond Donors Count

4.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

11

Partition Coefficient, logP

3.389

Distribution Coefficient, logD

3.388

Water Solubility, LogSw

-3.78

Polar Surface Area

135.639

Acid Dissociation Constant (pKa)

9.77

Base Dissociation Constant (pKb)

3.73

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

18.50

4109-2100 in Drug Discovery

Included in Screening Libraries

C-Met Library (15277 compounds)

Antibacterial Compounds Library (13827 compounds)

Aurora A-B Kinases Targeted Library (9426 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Endocrine
  • Infections
  • Immune system
  • animal
  • 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 4109-2100 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4109-2100?
Check Price and Availability of 4109-2100, 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 4109-2100 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4109-2100
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4109-2100
  • 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 4109-2100 available by request