3390-0242 Screening compound: N'-(4,6-dimethylpyrimidin-2-yl)-N-{4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl}guanidine

3390-0242 Screening compound: N'-(4,6-dimethylpyrimidin-2-yl)-N-{4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl}guanidine
3390-0242 Screening compound: N'-(4,6-dimethylpyrimidin-2-yl)-N-{4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl}guanidine alternative view

Chemical Structure Depiction of ChemDiv screening compound 3390-0242
N'-(4,6-dimethylpyrimidin-2-yl)-N-{4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl}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

3390-0242

Molecular Formula

C18H20N8O2S (C18 H20 N8 O2 S)

Compound Name

N'-(4,6-dimethylpyrimidin-2-yl)-N-{4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl}guanidine

IUPAC name

N'-(46-dimethylpyrimidin-2-yl)-N-{4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl}guanidine

SMILES

Cc1ccnc(NS(c(cc2)ccc2NC(Nc2nc(C)cc(C)n2)=N)(=O)=O)n1

InChI

InChI=1S/C18H20N8O2S/c1-11-8-9-20-17(21-11)26-29(27,28)15-6-4-14(5-7-15)24-16(19)25-18-22-12(2)10-13(3)23-18/h4-10H,1-3H3,(H,20,21,26)(H3,19,22,23,24,25)

InChI Key

QZCREBCDUZUPQB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01975771

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

412.48

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

4.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

1.897

Distribution Coefficient, logD

1.897

Water Solubility, LogSw

-2.80

Polar Surface Area

116.757

Acid Dissociation Constant (pKa)

6.91

Base Dissociation Constant (pKb)

10.06

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.70

3390-0242 in Drug Discovery

Included in Screening Libraries

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

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with 3390-0242 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3390-0242?
Check Price and Availability of 3390-0242, 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 3390-0242 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3390-0242
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3390-0242
  • 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 3390-0242 available by request