3286-0396 Screening compound: 1-(2-chlorobenzenesulfonyl)-3-(4-ethoxy-6-methyl-1,3,5-triazin-2-yl)urea

3286-0396 Screening compound: 1-(2-chlorobenzenesulfonyl)-3-(4-ethoxy-6-methyl-1,3,5-triazin-2-yl)urea
3286-0396 Screening compound: 1-(2-chlorobenzenesulfonyl)-3-(4-ethoxy-6-methyl-1,3,5-triazin-2-yl)urea alternative view

Chemical Structure Depiction of ChemDiv screening compound 3286-0396
1-(2-chlorobenzenesulfonyl)-3-(4-ethoxy-6-methyl-1,3,5-triazin-2-yl)urea

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

3286-0396

Molecular Formula

C13H14ClN5O4S (C13 H14 ClN5 O4 S)

Compound Name

1-(2-chlorobenzenesulfonyl)-3-(4-ethoxy-6-methyl-1,3,5-triazin-2-yl)urea

IUPAC name

1-(2-chlorobenzenesulfonyl)-3-(4-ethoxy-6-methyl-135-triazin-2-yl)urea

SMILES

CCOc1nc(C)nc(NC(NS(c(cccc2)c2Cl)(=O)=O)=O)n1

InChI

InChI=1S/C13H14ClN5O4S/c1-3-23-13-16-8(2)15-11(18-13)17-12(20)19-24(21,22)10-7-5-4-6-9(10)14/h4-7H,3H2,1-2H3,(H2,15,16,17,18,19,20)

InChI Key

YHVRQPXORKMKEG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00396619

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

371.8

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

2.592

Distribution Coefficient, logD

0.705

Water Solubility, LogSw

-3.38

Polar Surface Area

101.816

Acid Dissociation Constant (pKa)

5.52

Base Dissociation Constant (pKb)

-1.54

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.10

3286-0396 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Chelators targeting matrix metalloproteinases library (8930 compounds)

Dark Chemical Matter Library (18430 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

New Agro Library (44492 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
  • Pool
Therapeutical areas:
  • Cancer
  • Digestive system
  • Cardiovascular
Targets:
  • Proteases
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 3286-0396 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3286-0396?
Check Price and Availability of 3286-0396, 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 3286-0396 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3286-0396
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3286-0396
  • 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 3286-0396 available by request