F151-0450 Screening compound: methyl 4-(2-{[5-oxo-6-(2-propanamidophenyl)-4,5-dihydro-1,2,4-triazin-3-yl]sulfanyl}acetamido)benzoate

F151-0450 Screening compound: methyl 4-(2-{[5-oxo-6-(2-propanamidophenyl)-4,5-dihydro-1,2,4-triazin-3-yl]sulfanyl}acetamido)benzoate
F151-0450 Screening compound: methyl 4-(2-{[5-oxo-6-(2-propanamidophenyl)-4,5-dihydro-1,2,4-triazin-3-yl]sulfanyl}acetamido)benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound F151-0450
methyl 4-(2-{[5-oxo-6-(2-propanamidophenyl)-4,5-dihydro-1,2,4-triazin-3-yl]sulfanyl}acetamido)benzoate

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

F151-0450

Molecular Formula

C22H21N5O5S (C22 H21 N5 O5 S)

Compound Name

methyl 4-(2-{[5-oxo-6-(2-propanamidophenyl)-4,5-dihydro-1,2,4-triazin-3-yl]sulfanyl}acetamido)benzoate

IUPAC name

methyl 4-(2-{[5-oxo-6-(2-propanamidophenyl)-45-dihydro-124-triazin-3-yl]sulfanyl}acetamido)benzoate

SMILES

CCC(Nc(cccc1)c1C(C(N1)=O)=NN=C1SCC(Nc(cc1)ccc1C(OC)=O)=O)=O

InChI

InChI=1S/C22H21N5O5S/c1-3-17(28)24-16-7-5-4-6-15(16)19-20(30)25-22(27-26-19)33-12-18(29)23-14-10-8-13(9-11-14)21(31)32-2/h4-11H,3,12H2,1-2H3,(H,23,29)(H,24,28)(H,25,27,30)

InChI Key

RWDYYHOPPDRWOZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27105510

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

467.51

Hydrogen Bond Acceptors Count

12.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

2.553

Distribution Coefficient, logD

2.397

Water Solubility, LogSw

-3.06

Polar Surface Area

111.570

Acid Dissociation Constant (pKa)

7.77

Base Dissociation Constant (pKb)

1.86

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

18.20

F151-0450 in Drug Discovery

Included in Screening Libraries

PPI Inhibitors Tripeptide Mimetics (23972 compounds)

Peptidomimetic Library (37031 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics
  • Mimetics

References: we are preparing a list of scientific research reports with F151-0450 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F151-0450?
Check Price and Availability of F151-0450, 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 F151-0450 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F151-0450
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F151-0450
  • 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 F151-0450 available by request