D509-0027 Screening compound: N-(3-chloro-4-methoxyphenyl)-2-{[6-(2-acetamido-3,5-dimethylphenyl)-5-oxo-4,5-dihydro-1,2,4-triazin-3-yl]sulfanyl}acetamide

D509-0027 Screening compound: N-(3-chloro-4-methoxyphenyl)-2-{[6-(2-acetamido-3,5-dimethylphenyl)-5-oxo-4,5-dihydro-1,2,4-triazin-3-yl]sulfanyl}acetamide
D509-0027 Screening compound: N-(3-chloro-4-methoxyphenyl)-2-{[6-(2-acetamido-3,5-dimethylphenyl)-5-oxo-4,5-dihydro-1,2,4-triazin-3-yl]sulfanyl}acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D509-0027
N-(3-chloro-4-methoxyphenyl)-2-{[6-(2-acetamido-3,5-dimethylphenyl)-5-oxo-4,5-dihydro-1,2,4-triazin-3-yl]sulfanyl}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

D509-0027

Molecular Formula

C22H22ClN5O4S (C22 H22 ClN5 O4 S)

Compound Name

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

IUPAC name

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

SMILES

CC(Nc(c(C)cc(C)c1)c1C(C(N1)=O)=NN=C1SCC(Nc(cc1)cc(Cl)c1OC)=O)=O

InChI

InChI=1S/C22H22ClN5O4S/c1-11-7-12(2)19(24-13(3)29)15(8-11)20-21(31)26-22(28-27-20)33-10-18(30)25-14-5-6-17(32-4)16(23)9-14/h5-9H,10H2,1-4H3,(H,24,29)(H,25,30)(H,26,28,31)

InChI Key

LOXRKMPWVSBMQF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27589919

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

487.97

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

2.745

Distribution Coefficient, logD

2.738

Water Solubility, LogSw

-3.51

Polar Surface Area

97.442

Acid Dissociation Constant (pKa)

9.21

Base Dissociation Constant (pKb)

3.19

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

22.70

D509-0027 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer

References: we are preparing a list of scientific research reports with D509-0027 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D509-0027?
Check Price and Availability of D509-0027, 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 D509-0027 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D509-0027
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D509-0027
  • 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 D509-0027 available by request