4896-4951 Screening compound: N-{2-[3-(ETHYLSULFANYL)-5-HYDROXY-1,2,4-TRIAZIN-6-YL]PHENYL}PROPANAMIDE

4896-4951 Screening compound: N-{2-[3-(ETHYLSULFANYL)-5-HYDROXY-1,2,4-TRIAZIN-6-YL]PHENYL}PROPANAMIDE
4896-4951 Screening compound: N-{2-[3-(ETHYLSULFANYL)-5-HYDROXY-1,2,4-TRIAZIN-6-YL]PHENYL}PROPANAMIDE alternative view

Chemical Structure Depiction of ChemDiv screening compound 4896-4951
N-{2-[3-(ETHYLSULFANYL)-5-HYDROXY-1,2,4-TRIAZIN-6-YL]PHENYL}PROPANAMIDE

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

4896-4951

Molecular Formula

C14H16N4O2S (C14 H16 N4 O2 S)

Compound Name

N-{2-[3-(ETHYLSULFANYL)-5-HYDROXY-1,2,4-TRIAZIN-6-YL]PHENYL}PROPANAMIDE

IUPAC name

N-{2-[3-(ethylsulfanyl)-5-hydroxy-124-triazin-6-yl]phenyl}propanamide

SMILES

CCC(Nc(cccc1)c1-c(c(O)n1)nnc1SCC)=O

InChI

InChI=1S/C14H16N4O2S/c1-3-11(19)15-10-8-6-5-7-9(10)12-13(20)16-14(18-17-12)21-4-2/h5-8H,3-4H2,1-2H3,(H,15,19)(H,16,18,20)

InChI Key

QNPNLHPXSNEMBO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02952086

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

304.37

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

1.627

Distribution Coefficient, logD

0.886

Water Solubility, LogSw

-2.61

Polar Surface Area

70.570

Acid Dissociation Constant (pKa)

6.75

Base Dissociation Constant (pKb)

0.59

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

28.60

4896-4951 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Antiviral Library (67538 compounds)

Dark Chemical Matter Library (18430 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
  • Pool
Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with 4896-4951 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4896-4951?
Check Price and Availability of 4896-4951, 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 4896-4951 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4896-4951
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4896-4951
  • 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 4896-4951 available by request