V016-5014 Screening compound: 6-(4-acetylpiperazine-1-carbonyl)-4-[(2-methylphenyl)methyl]-2-[4-(propan-2-yl)phenyl]-2,3,4,5-tetrahydro-1,2,4-triazine-3,5-dione

V016-5014 Screening compound: 6-(4-acetylpiperazine-1-carbonyl)-4-[(2-methylphenyl)methyl]-2-[4-(propan-2-yl)phenyl]-2,3,4,5-tetrahydro-1,2,4-triazine-3,5-dione
V016-5014 Screening compound: 6-(4-acetylpiperazine-1-carbonyl)-4-[(2-methylphenyl)methyl]-2-[4-(propan-2-yl)phenyl]-2,3,4,5-tetrahydro-1,2,4-triazine-3,5-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound V016-5014
6-(4-acetylpiperazine-1-carbonyl)-4-[(2-methylphenyl)methyl]-2-[4-(propan-2-yl)phenyl]-2,3,4,5-tetrahydro-1,2,4-triazine-3,5-dione

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

V016-5014

Molecular Formula

C27H31N5O4 (C27 H31 N5 O4)

Compound Name

6-(4-acetylpiperazine-1-carbonyl)-4-[(2-methylphenyl)methyl]-2-[4-(propan-2-yl)phenyl]-2,3,4,5-tetrahydro-1,2,4-triazine-3,5-dione

IUPAC name

6-(4-acetylpiperazine-1-carbonyl)-4-[(2-methylphenyl)methyl]-2-[4-(propan-2-yl)phenyl]-2345-tetrahydro-124-triazine-35-dione

SMILES

CC(C)c(cc1)ccc1N(C(N1Cc2c(C)cccc2)=O)N=C(C(N(CC2)CCN2C(C)=O)=O)C1=O

InChI

InChI=1S/C27H31N5O4/c1-18(2)21-9-11-23(12-10-21)32-27(36)31(17-22-8-6-5-7-19(22)3)26(35)24(28-32)25(34)30-15-13-29(14-16-30)20(4)33/h5-12,18H,13-17H2,1-4H3

InChI Key

WLEFNANMSRDFGM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19837347

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

489.57

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

3.836

Distribution Coefficient, logD

3.836

Water Solubility, LogSw

-3.77

Polar Surface Area

76.089

Acid Dissociation Constant (pKa)

24.08

Base Dissociation Constant (pKb)

-2.36

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

37.00

References: we are preparing a list of scientific research reports with V016-5014 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V016-5014?
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What is the minimum amount of V016-5014 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V016-5014
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V016-5014
  • 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 V016-5014 available by request