3966-3253 Screening compound: N-(4-{[(E)-{[N'-(4,6-dimethylpyrimidin-2-yl)amino][N-(2-methylphenyl)amino]methylidene}amino]sulfonyl}phenyl)acetamide

3966-3253 Screening compound: N-(4-{[(E)-{[N'-(4,6-dimethylpyrimidin-2-yl)amino][N-(2-methylphenyl)amino]methylidene}amino]sulfonyl}phenyl)acetamide
3966-3253 Screening compound: N-(4-{[(E)-{[N'-(4,6-dimethylpyrimidin-2-yl)amino][N-(2-methylphenyl)amino]methylidene}amino]sulfonyl}phenyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 3966-3253
N-(4-{[(E)-{[N'-(4,6-dimethylpyrimidin-2-yl)amino][N-(2-methylphenyl)amino]methylidene}amino]sulfonyl}phenyl)acetamide

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

3966-3253

Molecular Formula

C22H24N6O3S (C22 H24 N6 O3 S)

Compound Name

N-(4-{[(E)-{[N'-(4,6-dimethylpyrimidin-2-yl)amino][N-(2-methylphenyl)amino]methylidene}amino]sulfonyl}phenyl)acetamide

IUPAC name

N-(4-{[(E)-{[N'-(46-dimethylpyrimidin-2-yl)amino][N-(2-methylphenyl)amino]methylidene}amino]sulfonyl}phenyl)acetamide

SMILES

CC(Nc(cc1)ccc1S(/N=C(\Nc1c(C)cccc1)/Nc1nc(C)cc(C)n1)(=O)=O)=O

InChI

InChI=1S/C22H24N6O3S/c1-14-7-5-6-8-20(14)26-22(27-21-23-15(2)13-16(3)24-21)28-32(30,31)19-11-9-18(10-12-19)25-17(4)29/h5-13H,1-4H3,(H,25,29)(H2,23,24,26,27,28)

InChI Key

QKOOPLYEUSXHDG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02245176

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

452.54

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

2.795

Distribution Coefficient, logD

2.795

Water Solubility, LogSw

-3.35

Polar Surface Area

99.713

Acid Dissociation Constant (pKa)

10.65

Base Dissociation Constant (pKb)

4.01

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

18.20

3966-3253 in Drug Discovery

Included in Screening Libraries

Antifungal Library (16415 compounds)

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

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 3966-3253 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3966-3253?
Check Price and Availability of 3966-3253, 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 3966-3253 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3966-3253
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3966-3253
  • 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 3966-3253 available by request