C102-0504 Screening compound: 6-[(2-chlorophenyl)methyl]-3-[(4-ethylphenyl)amino]-4,5-dihydro-1,2,4-triazin-5-one

C102-0504 Screening compound: 6-[(2-chlorophenyl)methyl]-3-[(4-ethylphenyl)amino]-4,5-dihydro-1,2,4-triazin-5-one
C102-0504 Screening compound: 6-[(2-chlorophenyl)methyl]-3-[(4-ethylphenyl)amino]-4,5-dihydro-1,2,4-triazin-5-one alternative view

Chemical Structure Depiction of ChemDiv screening compound C102-0504
6-[(2-chlorophenyl)methyl]-3-[(4-ethylphenyl)amino]-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

C102-0504

Molecular Formula

C18H17ClN4O (C18 H17 ClN4 O)

Compound Name

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

IUPAC name

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

SMILES

CCc(cc1)ccc1NC(N1)=NN=C(Cc(cccc2)c2Cl)C1=O

InChI

InChI=1S/C18H17ClN4O/c1-2-12-7-9-14(10-8-12)20-18-21-17(24)16(22-23-18)11-13-5-3-4-6-15(13)19/h3-10H,2,11H2,1H3,(H2,20,21,23,24)

InChI Key

PHGMGTXWXLYLTE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03492914

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

340.81

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.972

Distribution Coefficient, logD

4.972

Water Solubility, LogSw

-4.90

Polar Surface Area

54.756

Acid Dissociation Constant (pKa)

10.89

Base Dissociation Constant (pKb)

-0.15

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.70

C102-0504 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 C102-0504 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C102-0504?
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What is the minimum amount of C102-0504 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C102-0504
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C102-0504
  • 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 C102-0504 available by request