V029-0778 Screening compound: N,N-diethyl-4-[(3-fluorophenyl)methyl]-3,5-dioxo-2-[4-(trifluoromethyl)phenyl]-2,3,4,5-tetrahydro-1,2,4-triazine-6-carboxamide

V029-0778 Screening compound: N,N-diethyl-4-[(3-fluorophenyl)methyl]-3,5-dioxo-2-[4-(trifluoromethyl)phenyl]-2,3,4,5-tetrahydro-1,2,4-triazine-6-carboxamide
V029-0778 Screening compound: N,N-diethyl-4-[(3-fluorophenyl)methyl]-3,5-dioxo-2-[4-(trifluoromethyl)phenyl]-2,3,4,5-tetrahydro-1,2,4-triazine-6-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V029-0778
N,N-diethyl-4-[(3-fluorophenyl)methyl]-3,5-dioxo-2-[4-(trifluoromethyl)phenyl]-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

V029-0778

Molecular Formula

C22H20F4N4O3 (C22 H20 F4 N4 O3)

Compound Name

N,N-diethyl-4-[(3-fluorophenyl)methyl]-3,5-dioxo-2-[4-(trifluoromethyl)phenyl]-2,3,4,5-tetrahydro-1,2,4-triazine-6-carboxamide

IUPAC name

NN-diethyl-4-[(3-fluorophenyl)methyl]-35-dioxo-2-[4-(trifluoromethyl)phenyl]-2345-tetrahydro-124-triazine-6-carboxamide

SMILES

CCN(CC)C(C(C(N1Cc2cccc(F)c2)=O)=NN(c2ccc(C(F)(F)F)cc2)C1=O)=O

InChI

InChI=1S/C22H20F4N4O3/c1-3-28(4-2)19(31)18-20(32)29(13-14-6-5-7-16(23)12-14)21(33)30(27-18)17-10-8-15(9-11-17)22(24,25)26/h5-12H,3-4,13H2,1-2H3

InChI Key

UVDLXOKDZUGSPB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19837247

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

464.42

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.883

Distribution Coefficient, logD

3.883

Water Solubility, LogSw

-3.99

Polar Surface Area

58.177

Acid Dissociation Constant (pKa)

28.60

Base Dissociation Constant (pKb)

4.14

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

27.30

References: we are preparing a list of scientific research reports with V029-0778 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V029-0778?
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What is the minimum amount of V029-0778 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V029-0778
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V029-0778
  • 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 V029-0778 available by request