F151-0333 Screening compound: methyl 4-(2-{[6-(2-acetamidophenyl)-5-oxo-4,5-dihydro-1,2,4-triazin-3-yl]sulfanyl}acetamido)benzoate

F151-0333 Screening compound: methyl 4-(2-{[6-(2-acetamidophenyl)-5-oxo-4,5-dihydro-1,2,4-triazin-3-yl]sulfanyl}acetamido)benzoate
F151-0333 Screening compound: methyl 4-(2-{[6-(2-acetamidophenyl)-5-oxo-4,5-dihydro-1,2,4-triazin-3-yl]sulfanyl}acetamido)benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound F151-0333
methyl 4-(2-{[6-(2-acetamidophenyl)-5-oxo-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

F151-0333

Molecular Formula

C21H19N5O5S (C21 H19 N5 O5 S)

Compound Name

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

IUPAC name

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

SMILES

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

InChI

InChI=1S/C21H19N5O5S/c1-12(27)22-16-6-4-3-5-15(16)18-19(29)24-21(26-25-18)32-11-17(28)23-14-9-7-13(8-10-14)20(30)31-2/h3-10H,11H2,1-2H3,(H,22,27)(H,23,28)(H,24,26,29)

InChI Key

GPCVXTXYQSCNKZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27105437

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

453.48

Hydrogen Bond Acceptors Count

12.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

1.902

Distribution Coefficient, logD

1.747

Water Solubility, LogSw

-2.70

Polar Surface Area

111.683

Acid Dissociation Constant (pKa)

7.77

Base Dissociation Constant (pKb)

1.86

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

14.30

F151-0333 in Drug Discovery

Included in Screening Libraries

Integrin Receptors Targeted library (1715 compounds)

PPI Inhibitors Tripeptide Mimetics (23972 compounds)

Peptidomimetic Library (37031 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Nervous system
  • Hemic and lymphatic
  • Cardiovascular
  • Immune system
Targets:
  • Others
Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics
  • Mimetics

References: we are preparing a list of scientific research reports with F151-0333 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F151-0333?
Check Price and Availability of F151-0333, 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 F151-0333 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F151-0333
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F151-0333
  • 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 F151-0333 available by request