F151-0312 Screening compound: 2-{[6-(2-acetamidophenyl)-5-oxo-4,5-dihydro-1,2,4-triazin-3-yl]sulfanyl}-N-(3-ethylphenyl)butanamide

F151-0312 Screening compound: 2-{[6-(2-acetamidophenyl)-5-oxo-4,5-dihydro-1,2,4-triazin-3-yl]sulfanyl}-N-(3-ethylphenyl)butanamide
F151-0312 Screening compound: 2-{[6-(2-acetamidophenyl)-5-oxo-4,5-dihydro-1,2,4-triazin-3-yl]sulfanyl}-N-(3-ethylphenyl)butanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound F151-0312
2-{[6-(2-acetamidophenyl)-5-oxo-4,5-dihydro-1,2,4-triazin-3-yl]sulfanyl}-N-(3-ethylphenyl)butanamide

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

F151-0312

Molecular Formula

C23H25N5O3S (C23 H25 N5 O3 S)

Compound Name

2-{[6-(2-acetamidophenyl)-5-oxo-4,5-dihydro-1,2,4-triazin-3-yl]sulfanyl}-N-(3-ethylphenyl)butanamide

IUPAC name

2-{[6-(2-acetamidophenyl)-5-oxo-45-dihydro-124-triazin-3-yl]sulfanyl}-N-(3-ethylphenyl)butanamide

SMILES

CCC(C(Nc1cc(CC)ccc1)=O)SC(N1)=NN=C(c(cccc2)c2NC(C)=O)C1=O

InChI

InChI=1S/C23H25N5O3S/c1-4-15-9-8-10-16(13-15)25-21(30)19(5-2)32-23-26-22(31)20(27-28-23)17-11-6-7-12-18(17)24-14(3)29/h6-13,19H,4-5H2,1-3H3,(H,24,29)(H,25,30)(H,26,28,31)/t19-/m0/s1

InChI Key

KSUUZJPRRLROMJ-IBGZPJMESA-N

MDL Number (MFCD)

MFCD27105427

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

10.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.672

Distribution Coefficient, logD

3.610

Water Solubility, LogSw

-3.87

Polar Surface Area

90.723

Acid Dissociation Constant (pKa)

8.21

Base Dissociation Constant (pKb)

1.45

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

26.10

F151-0312 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 F151-0312 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F151-0312?
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What is the minimum amount of F151-0312 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F151-0312
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F151-0312
  • 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 F151-0312 available by request