F151-0045 Screening compound: N-(3-chloro-2-methylphenyl)-2-{[6-(2-acetamido-5-methylphenyl)-5-oxo-4,5-dihydro-1,2,4-triazin-3-yl]sulfanyl}propanamide

F151-0045 Screening compound: N-(3-chloro-2-methylphenyl)-2-{[6-(2-acetamido-5-methylphenyl)-5-oxo-4,5-dihydro-1,2,4-triazin-3-yl]sulfanyl}propanamide
F151-0045 Screening compound: N-(3-chloro-2-methylphenyl)-2-{[6-(2-acetamido-5-methylphenyl)-5-oxo-4,5-dihydro-1,2,4-triazin-3-yl]sulfanyl}propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound F151-0045
N-(3-chloro-2-methylphenyl)-2-{[6-(2-acetamido-5-methylphenyl)-5-oxo-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

F151-0045

Molecular Formula

C22H22ClN5O3S (C22 H22 ClN5 O3 S)

Compound Name

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

IUPAC name

N-(3-chloro-2-methylphenyl)-2-{[6-(2-acetamido-5-methylphenyl)-5-oxo-45-dihydro-124-triazin-3-yl]sulfanyl}propanamide

SMILES

CC(C(Nc1cccc(Cl)c1C)=O)SC(N1)=NN=C(c(cc(C)cc2)c2NC(C)=O)C1=O

InChI

InChI=1S/C22H22ClN5O3S/c1-11-8-9-18(24-14(4)29)15(10-11)19-21(31)26-22(28-27-19)32-13(3)20(30)25-17-7-5-6-16(23)12(17)2/h5-10,13H,1-4H3,(H,24,29)(H,25,30)(H,26,28,31)/t13-/m0/s1

InChI Key

QSMQCZWPGHGQDR-ZDUSSCGKSA-N

MDL Number (MFCD)

MFCD27105314

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

471.97

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.722

Distribution Coefficient, logD

3.709

Water Solubility, LogSw

-4.04

Polar Surface Area

90.025

Acid Dissociation Constant (pKa)

8.93

Base Dissociation Constant (pKb)

2.39

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

22.70

References: we are preparing a list of scientific research reports with F151-0045 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F151-0045?
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What is the minimum amount of F151-0045 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F151-0045
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F151-0045
  • 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 F151-0045 available by request