8014-1805 Screening compound: 1-(3-chlorobenzenesulfonyl)-3-(4-ethoxy-6-phenyl-1,3,5-triazin-2-yl)urea

8014-1805 Screening compound: 1-(3-chlorobenzenesulfonyl)-3-(4-ethoxy-6-phenyl-1,3,5-triazin-2-yl)urea
8014-1805 Screening compound: 1-(3-chlorobenzenesulfonyl)-3-(4-ethoxy-6-phenyl-1,3,5-triazin-2-yl)urea alternative view

Chemical Structure Depiction of ChemDiv screening compound 8014-1805
1-(3-chlorobenzenesulfonyl)-3-(4-ethoxy-6-phenyl-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

8014-1805

Molecular Formula

C18H16ClN5O4S (C18 H16 ClN5 O4 S)

Compound Name

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

IUPAC name

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

SMILES

CCOc1nc(-c2ccccc2)nc(NC(NS(c2cccc(Cl)c2)(=O)=O)=O)n1

InChI

InChI=1S/C18H16ClN5O4S/c1-2-28-18-21-15(12-7-4-3-5-8-12)20-16(23-18)22-17(25)24-29(26,27)14-10-6-9-13(19)11-14/h3-11H,2H2,1H3,(H2,20,21,22,23,24,25)

InChI Key

KHRPTKLPUXQSDU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03767980

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

433.88

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

4.938

Distribution Coefficient, logD

2.417

Water Solubility, LogSw

-4.97

Polar Surface Area

101.932

Acid Dissociation Constant (pKa)

4.88

Base Dissociation Constant (pKb)

-1.62

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

11.11

8014-1805 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Antiviral Library (67538 compounds)

Chelators targeting matrix metalloproteinases library (8930 compounds)

Selective Target Activity Profiling Library (14702 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

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

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Cancer
  • Digestive system
  • Cardiovascular
Targets:
  • Proteases

References: we are preparing a list of scientific research reports with 8014-1805 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8014-1805?
Check Price and Availability of 8014-1805, 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 8014-1805 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8014-1805
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8014-1805
  • 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 8014-1805 available by request