F151-0412 Screening compound: N-(2,3-dimethylphenyl)-2-{[5-oxo-6-(2-propanamidophenyl)-4,5-dihydro-1,2,4-triazin-3-yl]sulfanyl}propanamide

F151-0412 Screening compound: N-(2,3-dimethylphenyl)-2-{[5-oxo-6-(2-propanamidophenyl)-4,5-dihydro-1,2,4-triazin-3-yl]sulfanyl}propanamide
F151-0412 Screening compound: N-(2,3-dimethylphenyl)-2-{[5-oxo-6-(2-propanamidophenyl)-4,5-dihydro-1,2,4-triazin-3-yl]sulfanyl}propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound F151-0412
N-(2,3-dimethylphenyl)-2-{[5-oxo-6-(2-propanamidophenyl)-4,5-dihydro-1,2,4-triazin-3-yl]sulfanyl}propanamide

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

F151-0412

Molecular Formula

C23H25N5O3S (C23 H25 N5 O3 S)

Compound Name

N-(2,3-dimethylphenyl)-2-{[5-oxo-6-(2-propanamidophenyl)-4,5-dihydro-1,2,4-triazin-3-yl]sulfanyl}propanamide

IUPAC name

N-(23-dimethylphenyl)-2-{[5-oxo-6-(2-propanamidophenyl)-45-dihydro-124-triazin-3-yl]sulfanyl}propanamide

SMILES

CCC(Nc(cccc1)c1C(C(N1)=O)=NN=C1SC(C)C(Nc1c(C)c(C)ccc1)=O)=O

InChI

InChI=1S/C23H25N5O3S/c1-5-19(29)24-18-11-7-6-10-16(18)20-22(31)26-23(28-27-20)32-15(4)21(30)25-17-12-8-9-13(2)14(17)3/h6-12,15H,5H2,1-4H3,(H,24,29)(H,25,30)(H,26,28,31)/t15-/m0/s1

InChI Key

YAJMNYNXCSOWEN-HNNXBMFYSA-N

MDL Number (MFCD)

MFCD27105487

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

451.55

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

3.944

Distribution Coefficient, logD

3.882

Water Solubility, LogSw

-3.95

Polar Surface Area

89.912

Acid Dissociation Constant (pKa)

8.21

Base Dissociation Constant (pKb)

1.72

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

26.10

F151-0412 in Drug Discovery

Included in Screening Libraries

PPI Inhibitors Tripeptide Mimetics (23972 compounds)

Targeted Diversity Library (40567 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 F151-0412 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F151-0412?
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What is the minimum amount of F151-0412 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F151-0412
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F151-0412
  • 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 F151-0412 available by request