F151-0167 Screening compound: N-(2,5-difluorophenyl)-2-{[6-(5-methyl-2-propanamidophenyl)-5-oxo-4,5-dihydro-1,2,4-triazin-3-yl]sulfanyl}butanamide

F151-0167 Screening compound: N-(2,5-difluorophenyl)-2-{[6-(5-methyl-2-propanamidophenyl)-5-oxo-4,5-dihydro-1,2,4-triazin-3-yl]sulfanyl}butanamide
F151-0167 Screening compound: N-(2,5-difluorophenyl)-2-{[6-(5-methyl-2-propanamidophenyl)-5-oxo-4,5-dihydro-1,2,4-triazin-3-yl]sulfanyl}butanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound F151-0167
N-(2,5-difluorophenyl)-2-{[6-(5-methyl-2-propanamidophenyl)-5-oxo-4,5-dihydro-1,2,4-triazin-3-yl]sulfanyl}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

F151-0167

Molecular Formula

C23H23F2N5O3S (C23 H23 F2 N5 O3 S)

Compound Name

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

IUPAC name

N-(25-difluorophenyl)-2-{[6-(5-methyl-2-propanamidophenyl)-5-oxo-45-dihydro-124-triazin-3-yl]sulfanyl}butanamide

SMILES

CCC(C(Nc(cc(cc1)F)c1F)=O)SC(N1)=NN=C(c(cc(C)cc2)c2NC(CC)=O)C1=O

InChI

InChI=1S/C23H23F2N5O3S/c1-4-18(21(32)27-17-11-13(24)7-8-15(17)25)34-23-28-22(33)20(29-30-23)14-10-12(3)6-9-16(14)26-19(31)5-2/h6-11,18H,4-5H2,1-3H3,(H,26,31)(H,27,32)(H,28,30,33)/t18-/m0/s1

InChI Key

VZDSITKQWGWVKW-SFHVURJKSA-N

MDL Number (MFCD)

MFCD27105359

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

487.53

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

4.249

Distribution Coefficient, logD

4.229

Water Solubility, LogSw

-4.20

Polar Surface Area

89.912

Acid Dissociation Constant (pKa)

8.72

Base Dissociation Constant (pKb)

2.11

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

26.10

F151-0167 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

PPI Inhibitors Tripeptide Mimetics (23972 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
Mechanism of action:
  • PPI modulators
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with F151-0167 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F151-0167?
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What is the minimum amount of F151-0167 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F151-0167
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F151-0167
  • 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 F151-0167 available by request