V016-9022 Screening compound: N-cyclohexyl-4-[(4-fluorophenyl)methyl]-N-methyl-2-(3-methylphenyl)-3,5-dioxo-2,3,4,5-tetrahydro-1,2,4-triazine-6-carboxamide

V016-9022 Screening compound: N-cyclohexyl-4-[(4-fluorophenyl)methyl]-N-methyl-2-(3-methylphenyl)-3,5-dioxo-2,3,4,5-tetrahydro-1,2,4-triazine-6-carboxamide
V016-9022 Screening compound: N-cyclohexyl-4-[(4-fluorophenyl)methyl]-N-methyl-2-(3-methylphenyl)-3,5-dioxo-2,3,4,5-tetrahydro-1,2,4-triazine-6-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V016-9022
N-cyclohexyl-4-[(4-fluorophenyl)methyl]-N-methyl-2-(3-methylphenyl)-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

V016-9022

Molecular Formula

C25H27FN4O3 (C25 H27 FN4 O3)

Compound Name

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

IUPAC name

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

SMILES

Cc1cccc(N(C(N2Cc(cc3)ccc3F)=O)N=C(C(N(C)C3CCCCC3)=O)C2=O)c1

InChI

InChI=1S/C25H27FN4O3/c1-17-7-6-10-21(15-17)30-25(33)29(16-18-11-13-19(26)14-12-18)24(32)22(27-30)23(31)28(2)20-8-4-3-5-9-20/h6-7,10-15,20H,3-5,8-9,16H2,1-2H3

InChI Key

BGWBXGNBNJZFQG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19836435

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

450.51

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

4.499

Distribution Coefficient, logD

4.499

Water Solubility, LogSw

-4.36

Polar Surface Area

57.447

Acid Dissociation Constant (pKa)

27.32

Base Dissociation Constant (pKb)

3.94

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

36.00

References: we are preparing a list of scientific research reports with V016-9022 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V016-9022?
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What is the minimum amount of V016-9022 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V016-9022
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V016-9022
  • 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 V016-9022 available by request