V009-4849 Screening compound: N-ethyl-2-(3-fluoro-4-methylphenyl)-N-methyl-4-[(3-methylphenyl)methyl]-3,5-dioxo-2,3,4,5-tetrahydro-1,2,4-triazine-6-carboxamide

V009-4849 Screening compound: N-ethyl-2-(3-fluoro-4-methylphenyl)-N-methyl-4-[(3-methylphenyl)methyl]-3,5-dioxo-2,3,4,5-tetrahydro-1,2,4-triazine-6-carboxamide
V009-4849 Screening compound: N-ethyl-2-(3-fluoro-4-methylphenyl)-N-methyl-4-[(3-methylphenyl)methyl]-3,5-dioxo-2,3,4,5-tetrahydro-1,2,4-triazine-6-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V009-4849
N-ethyl-2-(3-fluoro-4-methylphenyl)-N-methyl-4-[(3-methylphenyl)methyl]-3,5-dioxo-2,3,4,5-tetrahydro-1,2,4-triazine-6-carboxamide

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

V009-4849

Molecular Formula

C22H23FN4O3 (C22 H23 FN4 O3)

Compound Name

N-ethyl-2-(3-fluoro-4-methylphenyl)-N-methyl-4-[(3-methylphenyl)methyl]-3,5-dioxo-2,3,4,5-tetrahydro-1,2,4-triazine-6-carboxamide

IUPAC name

N-ethyl-2-(3-fluoro-4-methylphenyl)-N-methyl-4-[(3-methylphenyl)methyl]-35-dioxo-2345-tetrahydro-124-triazine-6-carboxamide

SMILES

CCN(C)C(C(C(N1Cc2cc(C)ccc2)=O)=NN(c2cc(F)c(C)cc2)C1=O)=O

InChI

InChI=1S/C22H23FN4O3/c1-5-25(4)20(28)19-21(29)26(13-16-8-6-7-14(2)11-16)22(30)27(24-19)17-10-9-15(3)18(23)12-17/h6-12H,5,13H2,1-4H3

InChI Key

YGUAFSGCSAAHPH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19835026

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

410.45

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.921

Distribution Coefficient, logD

3.921

Water Solubility, LogSw

-3.81

Polar Surface Area

58.392

Acid Dissociation Constant (pKa)

28.80

Base Dissociation Constant (pKb)

-0.48

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

27.30

References: we are preparing a list of scientific research reports with V009-4849 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V009-4849?
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What is the minimum amount of V009-4849 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V009-4849
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V009-4849
  • 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 V009-4849 available by request