D509-0049 Screening compound: 2-{[6-(2-acetamido-3,5-dimethylphenyl)-5-oxo-4,5-dihydro-1,2,4-triazin-3-yl]sulfanyl}-N-(3-ethylphenyl)acetamide

D509-0049 Screening compound: 2-{[6-(2-acetamido-3,5-dimethylphenyl)-5-oxo-4,5-dihydro-1,2,4-triazin-3-yl]sulfanyl}-N-(3-ethylphenyl)acetamide
D509-0049 Screening compound: 2-{[6-(2-acetamido-3,5-dimethylphenyl)-5-oxo-4,5-dihydro-1,2,4-triazin-3-yl]sulfanyl}-N-(3-ethylphenyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D509-0049
2-{[6-(2-acetamido-3,5-dimethylphenyl)-5-oxo-4,5-dihydro-1,2,4-triazin-3-yl]sulfanyl}-N-(3-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

D509-0049

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-(3-ethylphenyl)acetamide

IUPAC name

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

SMILES

CCc1cccc(NC(CSC(N2)=NN=C(c(cc(C)cc3C)c3NC(C)=O)C2=O)=O)c1

InChI

InChI=1S/C23H25N5O3S/c1-5-16-7-6-8-17(11-16)25-19(30)12-32-23-26-22(31)21(27-28-23)18-10-13(2)9-14(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

BPDAEXZMXRLIAM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27589935

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

3.025

Distribution Coefficient, logD

3.018

Water Solubility, LogSw

-3.24

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 D509-0049 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D509-0049?
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What is the minimum amount of D509-0049 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D509-0049
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D509-0049
  • 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 D509-0049 available by request