F151-0099 Screening compound: N-(5-chloro-2-methylphenyl)-2-{[6-(2-acetamido-5-methylphenyl)-5-oxo-4,5-dihydro-1,2,4-triazin-3-yl]sulfanyl}acetamide

F151-0099 Screening compound: N-(5-chloro-2-methylphenyl)-2-{[6-(2-acetamido-5-methylphenyl)-5-oxo-4,5-dihydro-1,2,4-triazin-3-yl]sulfanyl}acetamide
F151-0099 Screening compound: N-(5-chloro-2-methylphenyl)-2-{[6-(2-acetamido-5-methylphenyl)-5-oxo-4,5-dihydro-1,2,4-triazin-3-yl]sulfanyl}acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound F151-0099
N-(5-chloro-2-methylphenyl)-2-{[6-(2-acetamido-5-methylphenyl)-5-oxo-4,5-dihydro-1,2,4-triazin-3-yl]sulfanyl}acetamide

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

F151-0099

Molecular Formula

C21H20ClN5O3S (C21 H20 ClN5 O3 S)

Compound Name

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

IUPAC name

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

SMILES

CC(Nc(ccc(C)c1)c1C(C(N1)=O)=NN=C1SCC(Nc1c(C)ccc(Cl)c1)=O)=O

InChI

InChI=1S/C21H20ClN5O3S/c1-11-4-7-16(23-13(3)28)15(8-11)19-20(30)25-21(27-26-19)31-10-18(29)24-17-9-14(22)6-5-12(17)2/h4-9H,10H2,1-3H3,(H,23,28)(H,24,29)(H,25,27,30)

InChI Key

DTOBVMBVSABTNQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27105334

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

457.94

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

2.520

Distribution Coefficient, logD

2.485

Water Solubility, LogSw

-3.42

Polar Surface Area

89.811

Acid Dissociation Constant (pKa)

8.49

Base Dissociation Constant (pKb)

2.53

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

19.00

References: we are preparing a list of scientific research reports with F151-0099 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F151-0099?
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What is the minimum amount of F151-0099 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F151-0099
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F151-0099
  • 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 F151-0099 available by request