F151-0015 Screening compound: methyl 4-({[6-(2-acetamido-5-methylphenyl)-5-oxo-4,5-dihydro-1,2,4-triazin-3-yl]sulfanyl}methyl)benzoate

F151-0015 Screening compound: methyl 4-({[6-(2-acetamido-5-methylphenyl)-5-oxo-4,5-dihydro-1,2,4-triazin-3-yl]sulfanyl}methyl)benzoate
F151-0015 Screening compound: methyl 4-({[6-(2-acetamido-5-methylphenyl)-5-oxo-4,5-dihydro-1,2,4-triazin-3-yl]sulfanyl}methyl)benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound F151-0015
methyl 4-({[6-(2-acetamido-5-methylphenyl)-5-oxo-4,5-dihydro-1,2,4-triazin-3-yl]sulfanyl}methyl)benzoate

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

F151-0015

Molecular Formula

C21H20N4O4S (C21 H20 N4 O4 S)

Compound Name

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

IUPAC name

methyl 4-({[6-(2-acetamido-5-methylphenyl)-5-oxo-45-dihydro-124-triazin-3-yl]sulfanyl}methyl)benzoate

SMILES

CC(Nc(ccc(C)c1)c1C(C(N1)=O)=NN=C1SCc(cc1)ccc1C(OC)=O)=O

InChI

InChI=1S/C21H20N4O4S/c1-12-4-9-17(22-13(2)26)16(10-12)18-19(27)23-21(25-24-18)30-11-14-5-7-15(8-6-14)20(28)29-3/h4-10H,11H2,1-3H3,(H,22,26)(H,23,25,27)

InChI Key

UPJRECNEGSZQGK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27105304

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

424.48

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.478

Distribution Coefficient, logD

2.457

Water Solubility, LogSw

-2.94

Polar Surface Area

88.534

Acid Dissociation Constant (pKa)

8.71

Base Dissociation Constant (pKb)

3.57

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

19.00

F151-0015 in Drug Discovery

Included in Screening Libraries

Targeted Diversity Library (40567 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with F151-0015 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F151-0015?
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What is the minimum amount of F151-0015 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F151-0015
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F151-0015
  • 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 F151-0015 available by request