D509-0530 Screening compound: 4-[2-({6-[2-(2-methylpropanamido)phenyl]-5-oxo-4,5-dihydro-1,2,4-triazin-3-yl}sulfanyl)acetamido]benzamide

D509-0530 Screening compound: 4-[2-({6-[2-(2-methylpropanamido)phenyl]-5-oxo-4,5-dihydro-1,2,4-triazin-3-yl}sulfanyl)acetamido]benzamide
D509-0530 Screening compound: 4-[2-({6-[2-(2-methylpropanamido)phenyl]-5-oxo-4,5-dihydro-1,2,4-triazin-3-yl}sulfanyl)acetamido]benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D509-0530
4-[2-({6-[2-(2-methylpropanamido)phenyl]-5-oxo-4,5-dihydro-1,2,4-triazin-3-yl}sulfanyl)acetamido]benzamide

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

D509-0530

Molecular Formula

C22H22N6O4S (C22 H22 N6 O4 S)

Compound Name

4-[2-({6-[2-(2-methylpropanamido)phenyl]-5-oxo-4,5-dihydro-1,2,4-triazin-3-yl}sulfanyl)acetamido]benzamide

IUPAC name

4-[2-({6-[2-(2-methylpropanamido)phenyl]-5-oxo-45-dihydro-124-triazin-3-yl}sulfanyl)acetamido]benzamide

SMILES

CC(C)C(Nc(cccc1)c1C(C(N1)=O)=NN=C1SCC(Nc(cc1)ccc1C(N)=O)=O)=O

InChI

InChI=1S/C22H22N6O4S/c1-12(2)20(31)25-16-6-4-3-5-15(16)18-21(32)26-22(28-27-18)33-11-17(29)24-14-9-7-13(8-10-14)19(23)30/h3-10,12H,11H2,1-2H3,(H2,23,30)(H,24,29)(H,25,31)(H,26,28,32)

InChI Key

ISTKKQZXMUXOBL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27589996

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

466.52

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

5.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

1.869

Distribution Coefficient, logD

1.713

Water Solubility, LogSw

-2.79

Polar Surface Area

124.669

Acid Dissociation Constant (pKa)

7.77

Base Dissociation Constant (pKb)

1.86

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

18.20

References: we are preparing a list of scientific research reports with D509-0530 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D509-0530?
Check Price and Availability of D509-0530, 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 D509-0530 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D509-0530
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D509-0530
  • 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 D509-0530 available by request