F151-0530 Screening compound: N-{2-[3-({[(3-methylphenyl)carbamoyl]methyl}sulfanyl)-5-oxo-4,5-dihydro-1,2,4-triazin-6-yl]phenyl}benzamide

F151-0530 Screening compound: N-{2-[3-({[(3-methylphenyl)carbamoyl]methyl}sulfanyl)-5-oxo-4,5-dihydro-1,2,4-triazin-6-yl]phenyl}benzamide
F151-0530 Screening compound: N-{2-[3-({[(3-methylphenyl)carbamoyl]methyl}sulfanyl)-5-oxo-4,5-dihydro-1,2,4-triazin-6-yl]phenyl}benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound F151-0530
N-{2-[3-({[(3-methylphenyl)carbamoyl]methyl}sulfanyl)-5-oxo-4,5-dihydro-1,2,4-triazin-6-yl]phenyl}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

F151-0530

Molecular Formula

C25H21N5O3S (C25 H21 N5 O3 S)

Compound Name

N-{2-[3-({[(3-methylphenyl)carbamoyl]methyl}sulfanyl)-5-oxo-4,5-dihydro-1,2,4-triazin-6-yl]phenyl}benzamide

IUPAC name

N-{2-[3-({[(3-methylphenyl)carbamoyl]methyl}sulfanyl)-5-oxo-45-dihydro-124-triazin-6-yl]phenyl}benzamide

SMILES

Cc1cccc(NC(CSC(N2)=NN=C(c(cccc3)c3NC(c3ccccc3)=O)C2=O)=O)c1

InChI

InChI=1S/C25H21N5O3S/c1-16-8-7-11-18(14-16)26-21(31)15-34-25-28-24(33)22(29-30-25)19-12-5-6-13-20(19)27-23(32)17-9-3-2-4-10-17/h2-14H,15H2,1H3,(H,26,31)(H,27,32)(H,28,30,33)

InChI Key

ORTIMARAMWJPEA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27105551

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

471.54

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

4.037

Distribution Coefficient, logD

3.882

Water Solubility, LogSw

-4.15

Polar Surface Area

90.338

Acid Dissociation Constant (pKa)

7.77

Base Dissociation Constant (pKb)

1.86

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

8.00

F151-0530 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 F151-0530 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F151-0530?
Check Price and Availability of F151-0530, 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 F151-0530 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F151-0530
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F151-0530
  • 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 F151-0530 available by request