F151-0181 Screening compound: N-{2-[3-({[(4-chlorophenyl)carbamoyl]methyl}sulfanyl)-5-oxo-4,5-dihydro-1,2,4-triazin-6-yl]-4-methylphenyl}propanamide

F151-0181 Screening compound: N-{2-[3-({[(4-chlorophenyl)carbamoyl]methyl}sulfanyl)-5-oxo-4,5-dihydro-1,2,4-triazin-6-yl]-4-methylphenyl}propanamide
F151-0181 Screening compound: N-{2-[3-({[(4-chlorophenyl)carbamoyl]methyl}sulfanyl)-5-oxo-4,5-dihydro-1,2,4-triazin-6-yl]-4-methylphenyl}propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound F151-0181
N-{2-[3-({[(4-chlorophenyl)carbamoyl]methyl}sulfanyl)-5-oxo-4,5-dihydro-1,2,4-triazin-6-yl]-4-methylphenyl}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

F151-0181

Molecular Formula

C21H20ClN5O3S (C21 H20 ClN5 O3 S)

Compound Name

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

IUPAC name

N-{2-[3-({[(4-chlorophenyl)carbamoyl]methyl}sulfanyl)-5-oxo-45-dihydro-124-triazin-6-yl]-4-methylphenyl}propanamide

SMILES

CCC(Nc(ccc(C)c1)c1C(C(N1)=O)=NN=C1SCC(Nc(cc1)ccc1Cl)=O)=O

InChI

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

InChI Key

OVDUOTJZTRCDNB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27105364

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

9.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.308

Distribution Coefficient, logD

3.273

Water Solubility, LogSw

-3.71

Polar Surface Area

90.397

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 F151-0181 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F151-0181?
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What is the minimum amount of F151-0181 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F151-0181
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F151-0181
  • 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 F151-0181 available by request