V002-4240 Screening compound: 4-[(4-fluorophenyl)methyl]-6-(pyrrolidine-1-carbonyl)-2-[4-(trifluoromethyl)phenyl]-2,3,4,5-tetrahydro-1,2,4-triazine-3,5-dione

V002-4240 Screening compound: 4-[(4-fluorophenyl)methyl]-6-(pyrrolidine-1-carbonyl)-2-[4-(trifluoromethyl)phenyl]-2,3,4,5-tetrahydro-1,2,4-triazine-3,5-dione
V002-4240 Screening compound: 4-[(4-fluorophenyl)methyl]-6-(pyrrolidine-1-carbonyl)-2-[4-(trifluoromethyl)phenyl]-2,3,4,5-tetrahydro-1,2,4-triazine-3,5-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound V002-4240
4-[(4-fluorophenyl)methyl]-6-(pyrrolidine-1-carbonyl)-2-[4-(trifluoromethyl)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

V002-4240

Molecular Formula

C22H18F4N4O3 (C22 H18 F4 N4 O3)

Compound Name

4-[(4-fluorophenyl)methyl]-6-(pyrrolidine-1-carbonyl)-2-[4-(trifluoromethyl)phenyl]-2,3,4,5-tetrahydro-1,2,4-triazine-3,5-dione

IUPAC name

4-[(4-fluorophenyl)methyl]-6-(pyrrolidine-1-carbonyl)-2-[4-(trifluoromethyl)phenyl]-2345-tetrahydro-124-triazine-35-dione

SMILES

O=C(C(C(N1Cc(cc2)ccc2F)=O)=NN(c2ccc(C(F)(F)F)cc2)C1=O)N1CCCC1

InChI

InChI=1S/C22H18F4N4O3/c23-16-7-3-14(4-8-16)13-29-20(32)18(19(31)28-11-1-2-12-28)27-30(21(29)33)17-9-5-15(6-10-17)22(24,25)26/h3-10H,1-2,11-13H2

InChI Key

LPKFFPZOSFLIQZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19837200

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

462.4

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

3.852

Distribution Coefficient, logD

3.852

Water Solubility, LogSw

-4.05

Polar Surface Area

59.259

Acid Dissociation Constant (pKa)

27.85

Base Dissociation Constant (pKb)

-2.64

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

27.30

References: we are preparing a list of scientific research reports with V002-4240 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V002-4240?
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What is the minimum amount of V002-4240 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V002-4240
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V002-4240
  • 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 V002-4240 available by request