D509-0050 Screening compound: 2-{[6-(2-acetamido-3,5-dimethylphenyl)-5-oxo-4,5-dihydro-1,2,4-triazin-3-yl]sulfanyl}-N-(4-ethylphenyl)acetamide

D509-0050 Screening compound: 2-{[6-(2-acetamido-3,5-dimethylphenyl)-5-oxo-4,5-dihydro-1,2,4-triazin-3-yl]sulfanyl}-N-(4-ethylphenyl)acetamide
D509-0050 Screening compound: 2-{[6-(2-acetamido-3,5-dimethylphenyl)-5-oxo-4,5-dihydro-1,2,4-triazin-3-yl]sulfanyl}-N-(4-ethylphenyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D509-0050
2-{[6-(2-acetamido-3,5-dimethylphenyl)-5-oxo-4,5-dihydro-1,2,4-triazin-3-yl]sulfanyl}-N-(4-ethylphenyl)acetamide

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

D509-0050

Molecular Formula

C23H25N5O3S (C23 H25 N5 O3 S)

Compound Name

2-{[6-(2-acetamido-3,5-dimethylphenyl)-5-oxo-4,5-dihydro-1,2,4-triazin-3-yl]sulfanyl}-N-(4-ethylphenyl)acetamide

IUPAC name

2-{[6-(2-acetamido-35-dimethylphenyl)-5-oxo-45-dihydro-124-triazin-3-yl]sulfanyl}-N-(4-ethylphenyl)acetamide

SMILES

CCc(cc1)ccc1NC(CSC(N1)=NN=C(c(cc(C)cc2C)c2NC(C)=O)C1=O)=O

InChI

InChI=1S/C23H25N5O3S/c1-5-16-6-8-17(9-7-16)25-19(30)12-32-23-26-22(31)21(27-28-23)18-11-13(2)10-14(3)20(18)24-15(4)29/h6-11H,5,12H2,1-4H3,(H,24,29)(H,25,30)(H,26,28,31)

InChI Key

YHAOZAICAOUEPG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27589936

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

451.55

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.165

Distribution Coefficient, logD

3.158

Water Solubility, LogSw

-3.34

Polar Surface Area

89.811

Acid Dissociation Constant (pKa)

9.21

Base Dissociation Constant (pKb)

3.19

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

26.10

References: we are preparing a list of scientific research reports with D509-0050 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D509-0050?
Check Price and Availability of D509-0050, 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 D509-0050 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D509-0050
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D509-0050
  • 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 D509-0050 available by request