4802-0041 Screening compound: (E)-N'-(2,3-dimethylphenyl)-N-(4,6-dimethylpyrimidin-2-yl)-N''-(4-methylbenzenesulfonyl)guanidine

4802-0041 Screening compound: (E)-N'-(2,3-dimethylphenyl)-N-(4,6-dimethylpyrimidin-2-yl)-N''-(4-methylbenzenesulfonyl)guanidine
4802-0041 Screening compound: (E)-N'-(2,3-dimethylphenyl)-N-(4,6-dimethylpyrimidin-2-yl)-N''-(4-methylbenzenesulfonyl)guanidine alternative view

Chemical Structure Depiction of ChemDiv screening compound 4802-0041
(E)-N'-(2,3-dimethylphenyl)-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

4802-0041

Molecular Formula

C22H25N5O2S (C22 H25 N5 O2 S)

Compound Name

(E)-N'-(2,3-dimethylphenyl)-N-(4,6-dimethylpyrimidin-2-yl)-N''-(4-methylbenzenesulfonyl)guanidine

IUPAC name

(E)-N'-(23-dimethylphenyl)-N-(46-dimethylpyrimidin-2-yl)-N''-(4-methylbenzenesulfonyl)guanidine

SMILES

Cc(cc1)ccc1S(/N=C(\Nc1c(C)c(C)ccc1)/Nc1nc(C)cc(C)n1)(=O)=O

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

423.54

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.853

Distribution Coefficient, logD

4.853

Water Solubility, LogSw

-4.53

Polar Surface Area

76.451

Acid Dissociation Constant (pKa)

11.37

Base Dissociation Constant (pKb)

4.01

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

22.70

4802-0041 in Drug Discovery

Included in Screening Libraries

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with 4802-0041 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4802-0041?
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What is the minimum amount of 4802-0041 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4802-0041
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4802-0041
  • 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 4802-0041 available by request