3966-3244 Screening compound: (E)-N-(2,4-dimethoxyphenyl)-N'-(4,6-dimethylpyrimidin-2-yl)-N''-(4-methylbenzenesulfonyl)guanidine

3966-3244 Screening compound: (E)-N-(2,4-dimethoxyphenyl)-N'-(4,6-dimethylpyrimidin-2-yl)-N''-(4-methylbenzenesulfonyl)guanidine
3966-3244 Screening compound: (E)-N-(2,4-dimethoxyphenyl)-N'-(4,6-dimethylpyrimidin-2-yl)-N''-(4-methylbenzenesulfonyl)guanidine alternative view

Chemical Structure Depiction of ChemDiv screening compound 3966-3244
(E)-N-(2,4-dimethoxyphenyl)-N'-(4,6-dimethylpyrimidin-2-yl)-N''-(4-methylbenzenesulfonyl)guanidine

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

3966-3244

Molecular Formula

C22H25N5O4S (C22 H25 N5 O4 S)

Compound Name

(E)-N-(2,4-dimethoxyphenyl)-N'-(4,6-dimethylpyrimidin-2-yl)-N''-(4-methylbenzenesulfonyl)guanidine

IUPAC name

(E)-N-(24-dimethoxyphenyl)-N'-(46-dimethylpyrimidin-2-yl)-N''-(4-methylbenzenesulfonyl)guanidine

SMILES

Cc(cc1)ccc1S(/N=C(\Nc(ccc(OC)c1)c1OC)/Nc1nc(C)cc(C)n1)(=O)=O

InChI

InChI=1S/C22H25N5O4S/c1-14-6-9-18(10-7-14)32(28,29)27-22(26-21-23-15(2)12-16(3)24-21)25-19-11-8-17(30-4)13-20(19)31-5/h6-13H,1-5H3,(H2,23,24,25,26,27)

InChI Key

SDZGGMFTYRAHGJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02245167

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

455.54

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

3.968

Distribution Coefficient, logD

3.968

Water Solubility, LogSw

-4.02

Polar Surface Area

91.625

Acid Dissociation Constant (pKa)

11.79

Base Dissociation Constant (pKb)

4.01

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

22.70

3966-3244 in Drug Discovery

Included in Screening Libraries

Antifungal Library (16415 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 3966-3244 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3966-3244?
Check Price and Availability of 3966-3244, 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 3966-3244 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3966-3244
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3966-3244
  • 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 3966-3244 available by request