8013-5644 Screening compound: N-(4-ethoxy-6-phenyl-1,3,5-triazin-2-yl)-N'-(2-thienylcarbonyl)urea

8013-5644 Screening compound: N-(4-ethoxy-6-phenyl-1,3,5-triazin-2-yl)-N'-(2-thienylcarbonyl)urea
8013-5644 Screening compound: N-(4-ethoxy-6-phenyl-1,3,5-triazin-2-yl)-N'-(2-thienylcarbonyl)urea alternative view

Chemical Structure Depiction of ChemDiv screening compound 8013-5644
N-(4-ethoxy-6-phenyl-1,3,5-triazin-2-yl)-N'-(2-thienylcarbonyl)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

8013-5644

Molecular Formula

C17H15N5O3S (C17 H15 N5 O3 S)

Compound Name

N-(4-ethoxy-6-phenyl-1,3,5-triazin-2-yl)-N'-(2-thienylcarbonyl)urea

IUPAC name

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

SMILES

CCOc1nc(-c2ccccc2)nc(NC(NC(c2cccs2)=O)=O)n1

InChI

InChI=1S/C17H15N5O3S/c1-2-25-17-19-13(11-7-4-3-5-8-11)18-15(22-17)21-16(24)20-14(23)12-9-6-10-26-12/h3-10H,2H2,1H3,(H2,18,19,20,21,22,23,24)

InChI Key

RPCDQWJBQZBABN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03766739

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

369.4

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.408

Distribution Coefficient, logD

4.127

Water Solubility, LogSw

-4.14

Polar Surface Area

85.392

Acid Dissociation Constant (pKa)

7.44

Base Dissociation Constant (pKb)

-1.62

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

11.76

8013-5644 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

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

Chelators targeting matrix metalloproteinases library (8930 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with 8013-5644 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8013-5644?
Check Price and Availability of 8013-5644, 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 8013-5644 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8013-5644
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8013-5644
  • 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 8013-5644 available by request