C102-0055 Screening compound: 3-[(2-fluorophenyl)amino]-6-[(4-methoxyphenyl)methyl]-4,5-dihydro-1,2,4-triazin-5-one

C102-0055 Screening compound: 3-[(2-fluorophenyl)amino]-6-[(4-methoxyphenyl)methyl]-4,5-dihydro-1,2,4-triazin-5-one
C102-0055 Screening compound: 3-[(2-fluorophenyl)amino]-6-[(4-methoxyphenyl)methyl]-4,5-dihydro-1,2,4-triazin-5-one alternative view

Chemical Structure Depiction of ChemDiv screening compound C102-0055
3-[(2-fluorophenyl)amino]-6-[(4-methoxyphenyl)methyl]-4,5-dihydro-1,2,4-triazin-5-one

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

C102-0055

Molecular Formula

C17H15FN4O2 (C17 H15 FN4 O2)

Compound Name

3-[(2-fluorophenyl)amino]-6-[(4-methoxyphenyl)methyl]-4,5-dihydro-1,2,4-triazin-5-one

IUPAC name

3-[(2-fluorophenyl)amino]-6-[(4-methoxyphenyl)methyl]-45-dihydro-124-triazin-5-one

SMILES

COc1ccc(CC2=NN=C(Nc(cccc3)c3F)NC2=O)cc1

InChI

InChI=1S/C17H15FN4O2/c1-24-12-8-6-11(7-9-12)10-15-16(23)20-17(22-21-15)19-14-5-3-2-4-13(14)18/h2-9H,10H2,1H3,(H2,19,20,22,23)

InChI Key

PGZVUFFTSMQBKX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03492510

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

326.33

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.266

Distribution Coefficient, logD

3.261

Water Solubility, LogSw

-3.56

Polar Surface Area

61.602

Acid Dissociation Constant (pKa)

9.34

Base Dissociation Constant (pKb)

-0.16

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

11.80

C102-0055 in Drug Discovery

Included in Screening Libraries

RNA-Protein Interaction Inhibitors Library (1986 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with C102-0055 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C102-0055?
Check Price and Availability of C102-0055, 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 C102-0055 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C102-0055
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C102-0055
  • 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 C102-0055 available by request