F151-0022 Screening compound: N-(3-chlorophenyl)-2-{[6-(2-acetamido-5-methylphenyl)-5-oxo-4,5-dihydro-1,2,4-triazin-3-yl]sulfanyl}butanamide

F151-0022 Screening compound: N-(3-chlorophenyl)-2-{[6-(2-acetamido-5-methylphenyl)-5-oxo-4,5-dihydro-1,2,4-triazin-3-yl]sulfanyl}butanamide
F151-0022 Screening compound: N-(3-chlorophenyl)-2-{[6-(2-acetamido-5-methylphenyl)-5-oxo-4,5-dihydro-1,2,4-triazin-3-yl]sulfanyl}butanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound F151-0022
N-(3-chlorophenyl)-2-{[6-(2-acetamido-5-methylphenyl)-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

F151-0022

Molecular Formula

C22H22ClN5O3S (C22 H22 ClN5 O3 S)

Compound Name

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

IUPAC name

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

SMILES

CCC(C(Nc1cccc(Cl)c1)=O)SC(N1)=NN=C(c(cc(C)cc2)c2NC(C)=O)C1=O

InChI

InChI=1S/C22H22ClN5O3S/c1-4-18(20(30)25-15-7-5-6-14(23)11-15)32-22-26-21(31)19(27-28-22)16-10-12(2)8-9-17(16)24-13(3)29/h5-11,18H,4H2,1-3H3,(H,24,29)(H,25,30)(H,26,28,31)/t18-/m0/s1

InChI Key

OLSKAZDTAHKIFI-SFHVURJKSA-N

MDL Number (MFCD)

MFCD27105307

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

9.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.886

Distribution Coefficient, logD

3.874

Water Solubility, LogSw

-4.25

Polar Surface Area

90.723

Acid Dissociation Constant (pKa)

8.93

Base Dissociation Constant (pKb)

2.11

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

22.70

F151-0022 in Drug Discovery

Included in Screening Libraries

Immunological Library (6760 compounds)

Targeted Diversity Library (40567 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system

References: we are preparing a list of scientific research reports with F151-0022 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F151-0022?
Check Price and Availability of F151-0022, 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 F151-0022 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F151-0022
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F151-0022
  • 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 F151-0022 available by request