F151-0184 Screening compound: N-{4-methyl-2-[3-({[(3-nitrophenyl)carbamoyl]methyl}sulfanyl)-5-oxo-4,5-dihydro-1,2,4-triazin-6-yl]phenyl}propanamide

F151-0184 Screening compound: N-{4-methyl-2-[3-({[(3-nitrophenyl)carbamoyl]methyl}sulfanyl)-5-oxo-4,5-dihydro-1,2,4-triazin-6-yl]phenyl}propanamide
F151-0184 Screening compound: N-{4-methyl-2-[3-({[(3-nitrophenyl)carbamoyl]methyl}sulfanyl)-5-oxo-4,5-dihydro-1,2,4-triazin-6-yl]phenyl}propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound F151-0184
N-{4-methyl-2-[3-({[(3-nitrophenyl)carbamoyl]methyl}sulfanyl)-5-oxo-4,5-dihydro-1,2,4-triazin-6-yl]phenyl}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

F151-0184

Molecular Formula

C21H20N6O5S (C21 H20 N6 O5 S)

Compound Name

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

IUPAC name

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

SMILES

CCC(Nc(ccc(C)c1)c1C(C(N1)=O)=NN=C1SCC(Nc1cc([N+]([O-])=O)ccc1)=O)=O

InChI

InChI=1S/C21H20N6O5S/c1-3-17(28)23-16-8-7-12(2)9-15(16)19-20(30)24-21(26-25-19)33-11-18(29)22-13-5-4-6-14(10-13)27(31)32/h4-10H,3,11H2,1-2H3,(H,22,29)(H,23,28)(H,24,26,30)

InChI Key

RWQFJZYIXSQKTL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27105365

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

468.49

Hydrogen Bond Acceptors Count

13.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

11

Partition Coefficient, logP

2.781

Distribution Coefficient, logD

2.746

Water Solubility, LogSw

-3.35

Polar Surface Area

123.778

Acid Dissociation Constant (pKa)

8.49

Base Dissociation Constant (pKb)

2.53

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

19.00

F151-0184 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with F151-0184 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F151-0184?
Check Price and Availability of F151-0184, 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 F151-0184 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F151-0184
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F151-0184
  • 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 F151-0184 available by request