V022-9710 Screening compound: N,N-diethyl-2-(2-fluorophenyl)-4-[(3-fluorophenyl)methyl]-3,5-dioxo-2,3,4,5-tetrahydro-1,2,4-triazine-6-carboxamide

V022-9710 Screening compound: N,N-diethyl-2-(2-fluorophenyl)-4-[(3-fluorophenyl)methyl]-3,5-dioxo-2,3,4,5-tetrahydro-1,2,4-triazine-6-carboxamide
V022-9710 Screening compound: N,N-diethyl-2-(2-fluorophenyl)-4-[(3-fluorophenyl)methyl]-3,5-dioxo-2,3,4,5-tetrahydro-1,2,4-triazine-6-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V022-9710
N,N-diethyl-2-(2-fluorophenyl)-4-[(3-fluorophenyl)methyl]-3,5-dioxo-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

V022-9710

Molecular Formula

C21H20F2N4O3 (C21 H20 F2 N4 O3)

Compound Name

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

IUPAC name

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

SMILES

CCN(CC)C(C(C(N1Cc2cc(F)ccc2)=O)=NN(c(cccc2)c2F)C1=O)=O

InChI

InChI=1S/C21H20F2N4O3/c1-3-25(4-2)19(28)18-20(29)26(13-14-8-7-9-15(22)12-14)21(30)27(24-18)17-11-6-5-10-16(17)23/h5-12H,3-4,13H2,1-2H3

InChI Key

FWYTVLOCROPQDL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19837770

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

414.41

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.017

Distribution Coefficient, logD

3.017

Water Solubility, LogSw

-3.38

Polar Surface Area

57.876

Acid Dissociation Constant (pKa)

28.22

Base Dissociation Constant (pKb)

4.14

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.80

References: we are preparing a list of scientific research reports with V022-9710 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V022-9710?
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What is the minimum amount of V022-9710 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V022-9710
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V022-9710
  • 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 V022-9710 available by request