4109-2036 Screening compound: ethyl 2-(5-{4-[(3,4-dichlorophenyl)amino]phthalazin-1-yl}-2-methylbenzenesulfonamido)acetate

4109-2036 Screening compound: ethyl 2-(5-{4-[(3,4-dichlorophenyl)amino]phthalazin-1-yl}-2-methylbenzenesulfonamido)acetate
4109-2036 Screening compound: ethyl 2-(5-{4-[(3,4-dichlorophenyl)amino]phthalazin-1-yl}-2-methylbenzenesulfonamido)acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound 4109-2036
ethyl 2-(5-{4-[(3,4-dichlorophenyl)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

4109-2036

Molecular Formula

C25H22Cl2N4O4S (C25 H22 Cl2 N4 O4 S)

Compound Name

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

IUPAC name

ethyl 2-(5-{4-[(34-dichlorophenyl)amino]phthalazin-1-yl}-2-methylbenzenesulfonamido)acetate

SMILES

CCOC(CNS(c1c(C)ccc(-c(c2ccccc22)nnc2Nc(cc2)cc(Cl)c2Cl)c1)(=O)=O)=O

InChI

InChI=1S/C25H22Cl2N4O4S/c1-3-35-23(32)14-28-36(33,34)22-12-16(9-8-15(22)2)24-18-6-4-5-7-19(18)25(31-30-24)29-17-10-11-20(26)21(27)13-17/h4-13,28H,3,14H2,1-2H3,(H,29,31)

InChI Key

YEGJMXMFNAMRAR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02239084

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

545.45

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

6.148

Distribution Coefficient, logD

6.146

Water Solubility, LogSw

-6.17

Polar Surface Area

93.949

Acid Dissociation Constant (pKa)

9.77

Base Dissociation Constant (pKb)

4.18

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.00

References: we are preparing a list of scientific research reports with 4109-2036 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4109-2036?
Check Price and Availability of 4109-2036, 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 4109-2036 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4109-2036
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4109-2036
  • 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 4109-2036 available by request