V011-8694 Screening compound: 4-[(4-fluorophenyl)methyl]-6-(morpholine-4-carbonyl)-2-[4-(trifluoromethyl)phenyl]-2,3,4,5-tetrahydro-1,2,4-triazine-3,5-dione

V011-8694 Screening compound: 4-[(4-fluorophenyl)methyl]-6-(morpholine-4-carbonyl)-2-[4-(trifluoromethyl)phenyl]-2,3,4,5-tetrahydro-1,2,4-triazine-3,5-dione
V011-8694 Screening compound: 4-[(4-fluorophenyl)methyl]-6-(morpholine-4-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 V011-8694
4-[(4-fluorophenyl)methyl]-6-(morpholine-4-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

V011-8694

Molecular Formula

C22H18F4N4O4 (C22 H18 F4 N4 O4)

Compound Name

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

IUPAC name

4-[(4-fluorophenyl)methyl]-6-(morpholine-4-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)N1CCOCC1

InChI

InChI=1S/C22H18F4N4O4/c23-16-5-1-14(2-6-16)13-29-20(32)18(19(31)28-9-11-34-12-10-28)27-30(21(29)33)17-7-3-15(4-8-17)22(24,25)26/h1-8H,9-13H2

InChI Key

LBFDKFOVSVQGHY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19834278

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

478.4

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.980

Distribution Coefficient, logD

2.980

Water Solubility, LogSw

-3.19

Polar Surface Area

66.802

Acid Dissociation Constant (pKa)

28.53

Base Dissociation Constant (pKb)

-2.76

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

27.30

V011-8694 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system

References: we are preparing a list of scientific research reports with V011-8694 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V011-8694?
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What is the minimum amount of V011-8694 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V011-8694
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V011-8694
  • 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 V011-8694 available by request