V002-7556 Screening compound: 6-(4-acetylpiperazine-1-carbonyl)-2-(4-chlorophenyl)-4-{[3-(trifluoromethyl)phenyl]methyl}-2,3,4,5-tetrahydro-1,2,4-triazine-3,5-dione

V002-7556 Screening compound: 6-(4-acetylpiperazine-1-carbonyl)-2-(4-chlorophenyl)-4-{[3-(trifluoromethyl)phenyl]methyl}-2,3,4,5-tetrahydro-1,2,4-triazine-3,5-dione
V002-7556 Screening compound: 6-(4-acetylpiperazine-1-carbonyl)-2-(4-chlorophenyl)-4-{[3-(trifluoromethyl)phenyl]methyl}-2,3,4,5-tetrahydro-1,2,4-triazine-3,5-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound V002-7556
6-(4-acetylpiperazine-1-carbonyl)-2-(4-chlorophenyl)-4-{[3-(trifluoromethyl)phenyl]methyl}-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

V002-7556

Molecular Formula

C24H21ClF3N5O4 (C24 H21 ClF3 N5 O4)

Compound Name

6-(4-acetylpiperazine-1-carbonyl)-2-(4-chlorophenyl)-4-{[3-(trifluoromethyl)phenyl]methyl}-2,3,4,5-tetrahydro-1,2,4-triazine-3,5-dione

IUPAC name

6-(4-acetylpiperazine-1-carbonyl)-2-(4-chlorophenyl)-4-{[3-(trifluoromethyl)phenyl]methyl}-2345-tetrahydro-124-triazine-35-dione

SMILES

CC(N(CC1)CCN1C(C(C(N1Cc2cc(C(F)(F)F)ccc2)=O)=NN(c(cc2)ccc2Cl)C1=O)=O)=O

InChI

InChI=1S/C24H21ClF3N5O4/c1-15(34)30-9-11-31(12-10-30)21(35)20-22(36)32(14-16-3-2-4-17(13-16)24(26,27)28)23(37)33(29-20)19-7-5-18(25)6-8-19/h2-8,13H,9-12,14H2,1H3

InChI Key

DNMMDVDRIZOPPT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19839892

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

535.91

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

3.231

Distribution Coefficient, logD

3.231

Water Solubility, LogSw

-3.67

Polar Surface Area

76.089

Acid Dissociation Constant (pKa)

24.63

Base Dissociation Constant (pKb)

-2.36

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

29.20

References: we are preparing a list of scientific research reports with V002-7556 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V002-7556?
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What is the minimum amount of V002-7556 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V002-7556
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V002-7556
  • 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 V002-7556 available by request