6969-1085 Screening compound: N-{2-[5-hydroxy-3-(prop-2-en-1-ylsulfanyl)-1,2,4-triazin-6-yl]phenyl}propanamide

6969-1085 Screening compound: N-{2-[5-hydroxy-3-(prop-2-en-1-ylsulfanyl)-1,2,4-triazin-6-yl]phenyl}propanamide
6969-1085 Screening compound: N-{2-[5-hydroxy-3-(prop-2-en-1-ylsulfanyl)-1,2,4-triazin-6-yl]phenyl}propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 6969-1085
N-{2-[5-hydroxy-3-(prop-2-en-1-ylsulfanyl)-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

6969-1085

Molecular Formula

C15H16N4O2S (C15 H16 N4 O2 S)

Compound Name

N-{2-[5-hydroxy-3-(prop-2-en-1-ylsulfanyl)-1,2,4-triazin-6-yl]phenyl}propanamide

IUPAC name

n/a

SMILES

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

InChI

InChI=1S/C15H16N4O2S/c1-3-9-22-15-17-14(21)13(18-19-15)10-7-5-6-8-11(10)16-12(20)4-2/h3,5-8H,1,4,9H2,2H3,(H,16,20)(H,17,19,21)

InChI Key

TWKFBSXEEYUQQR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04216660

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

316.38

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

1.886

Distribution Coefficient, logD

1.363

Water Solubility, LogSw

-2.85

Polar Surface Area

70.570

Acid Dissociation Constant (pKa)

7.03

Base Dissociation Constant (pKb)

0.59

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.00

6969-1085 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

Selective Target Activity Profiling Library (14702 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with 6969-1085 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6969-1085?
Check Price and Availability of 6969-1085, 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 6969-1085 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6969-1085
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6969-1085
  • 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 6969-1085 available by request