K843-0049 Screening compound: 2-{[5,7-bis(ethylamino)-[1,2,4]triazolo[4,3-a][1,3,5]triazin-3-yl]sulfanyl}-1-phenylethan-1-one

K843-0049 Screening compound: 2-{[5,7-bis(ethylamino)-[1,2,4]triazolo[4,3-a][1,3,5]triazin-3-yl]sulfanyl}-1-phenylethan-1-one
K843-0049 Screening compound: 2-{[5,7-bis(ethylamino)-[1,2,4]triazolo[4,3-a][1,3,5]triazin-3-yl]sulfanyl}-1-phenylethan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound K843-0049
2-{[5,7-bis(ethylamino)-[1,2,4]triazolo[4,3-a][1,3,5]triazin-3-yl]sulfanyl}-1-phenylethan-1-one

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

K843-0049

Molecular Formula

C16H19N7OS (C16 H19 N7 OS)

Compound Name

2-{[5,7-bis(ethylamino)-[1,2,4]triazolo[4,3-a][1,3,5]triazin-3-yl]sulfanyl}-1-phenylethan-1-one

IUPAC name

2-{[57-bis(ethylamino)-[124]triazolo[43-a][135]triazin-3-yl]sulfanyl}-1-phenylethan-1-one

SMILES

CCNc(n12)nc(NCC)nc2nnc1SCC(c1ccccc1)=O

InChI

InChI=1S/C16H19N7OS/c1-3-17-13-19-14(18-4-2)23-15(20-13)21-22-16(23)25-10-12(24)11-8-6-5-7-9-11/h5-9H,3-4,10H2,1-2H3,(H2,17,18,19,20,21)

InChI Key

DIGBYXKBEZMPPR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01848612

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

357.44

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.466

Distribution Coefficient, logD

2.458

Water Solubility, LogSw

-2.68

Polar Surface Area

78.256

Acid Dissociation Constant (pKa)

15.12

Base Dissociation Constant (pKb)

5.66

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

31.25

K843-0049 in Drug Discovery

Included in Screening Libraries

Serine Proteases Inhibitors Library (32732 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Cardiovascular
  • Skin
  • Metabolic
  • Immune system
Targets:
  • Proteases
Agro:
  • Agro

References: we are preparing a list of scientific research reports with K843-0049 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K843-0049?
Check Price and Availability of K843-0049, 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 K843-0049 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K843-0049
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K843-0049
  • 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 K843-0049 available by request