V022-1827 Screening compound: N-ethyl-2-(2-fluorophenyl)-4-[(4-fluorophenyl)methyl]-N-methyl-3,5-dioxo-2,3,4,5-tetrahydro-1,2,4-triazine-6-carboxamide

V022-1827 Screening compound: N-ethyl-2-(2-fluorophenyl)-4-[(4-fluorophenyl)methyl]-N-methyl-3,5-dioxo-2,3,4,5-tetrahydro-1,2,4-triazine-6-carboxamide
V022-1827 Screening compound: N-ethyl-2-(2-fluorophenyl)-4-[(4-fluorophenyl)methyl]-N-methyl-3,5-dioxo-2,3,4,5-tetrahydro-1,2,4-triazine-6-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V022-1827
N-ethyl-2-(2-fluorophenyl)-4-[(4-fluorophenyl)methyl]-N-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

V022-1827

Molecular Formula

C20H18F2N4O3 (C20 H18 F2 N4 O3)

Compound Name

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

IUPAC name

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

SMILES

CCN(C)C(C(C(N1Cc(cc2)ccc2F)=O)=NN(c(cccc2)c2F)C1=O)=O

InChI

InChI=1S/C20H18F2N4O3/c1-3-24(2)18(27)17-19(28)25(12-13-8-10-14(21)11-9-13)20(29)26(23-17)16-7-5-4-6-15(16)22/h4-11H,3,12H2,1-2H3

InChI Key

GXFPPEHNDNZWJN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19837940

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

400.38

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

2.644

Distribution Coefficient, logD

2.644

Water Solubility, LogSw

-2.85

Polar Surface Area

58.091

Acid Dissociation Constant (pKa)

28.14

Base Dissociation Constant (pKb)

-0.48

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.00

References: we are preparing a list of scientific research reports with V022-1827 chemical compound. It will be published here after verification.

Frequently Asked Questions

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What is the minimum amount of V022-1827 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V022-1827
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V022-1827
  • 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 V022-1827 available by request