4109-1959 Screening compound: N-tert-butyl-5-{4-[(2,4-dimethylphenyl)amino]phthalazin-1-yl}-2-methylbenzene-1-sulfonamide

4109-1959 Screening compound: N-tert-butyl-5-{4-[(2,4-dimethylphenyl)amino]phthalazin-1-yl}-2-methylbenzene-1-sulfonamide
4109-1959 Screening compound: N-tert-butyl-5-{4-[(2,4-dimethylphenyl)amino]phthalazin-1-yl}-2-methylbenzene-1-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 4109-1959
N-tert-butyl-5-{4-[(2,4-dimethylphenyl)amino]phthalazin-1-yl}-2-methylbenzene-1-sulfonamide

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

4109-1959

Molecular Formula

C27H30N4O2S (C27 H30 N4 O2 S)

Compound Name

N-tert-butyl-5-{4-[(2,4-dimethylphenyl)amino]phthalazin-1-yl}-2-methylbenzene-1-sulfonamide

IUPAC name

N-tert-butyl-5-{4-[(24-dimethylphenyl)amino]phthalazin-1-yl}-2-methylbenzene-1-sulfonamide

SMILES

CC(C)(C)NS(c1c(C)ccc(-c(c2ccccc22)nnc2Nc2c(C)cc(C)cc2)c1)(=O)=O

InChI

InChI=1S/C27H30N4O2S/c1-17-11-14-23(19(3)15-17)28-26-22-10-8-7-9-21(22)25(29-30-26)20-13-12-18(2)24(16-20)34(32,33)31-27(4,5)6/h7-16,31H,1-6H3,(H,28,30)

InChI Key

YEHXSZLQHVXROS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02237775

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

474.63

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

6.171

Distribution Coefficient, logD

6.170

Water Solubility, LogSw

-5.82

Polar Surface Area

72.130

Acid Dissociation Constant (pKa)

10.13

Base Dissociation Constant (pKb)

4.57

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.90

4109-1959 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 4109-1959 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4109-1959?
Check Price and Availability of 4109-1959, 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 4109-1959 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4109-1959
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4109-1959
  • 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 4109-1959 available by request