V002-4261 Screening compound: ethyl 1-{4-[(3-chlorophenyl)methyl]-2-(2-fluorophenyl)-3,5-dioxo-2,3,4,5-tetrahydro-1,2,4-triazine-6-carbonyl}piperidine-3-carboxylate

V002-4261 Screening compound: ethyl 1-{4-[(3-chlorophenyl)methyl]-2-(2-fluorophenyl)-3,5-dioxo-2,3,4,5-tetrahydro-1,2,4-triazine-6-carbonyl}piperidine-3-carboxylate
V002-4261 Screening compound: ethyl 1-{4-[(3-chlorophenyl)methyl]-2-(2-fluorophenyl)-3,5-dioxo-2,3,4,5-tetrahydro-1,2,4-triazine-6-carbonyl}piperidine-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound V002-4261
ethyl 1-{4-[(3-chlorophenyl)methyl]-2-(2-fluorophenyl)-3,5-dioxo-2,3,4,5-tetrahydro-1,2,4-triazine-6-carbonyl}piperidine-3-carboxylate

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

V002-4261

Molecular Formula

C25H24ClFN4O5 (C25 H24 ClFN4 O5)

Compound Name

ethyl 1-{4-[(3-chlorophenyl)methyl]-2-(2-fluorophenyl)-3,5-dioxo-2,3,4,5-tetrahydro-1,2,4-triazine-6-carbonyl}piperidine-3-carboxylate

IUPAC name

ethyl 1-{4-[(3-chlorophenyl)methyl]-2-(2-fluorophenyl)-35-dioxo-2345-tetrahydro-124-triazine-6-carbonyl}piperidine-3-carboxylate

SMILES

CCOC(C(CCC1)CN1C(C(C(N1Cc2cccc(Cl)c2)=O)=NN(c(cccc2)c2F)C1=O)=O)=O

InChI

InChI=1S/C25H24ClFN4O5/c1-2-36-24(34)17-8-6-12-29(15-17)22(32)21-23(33)30(14-16-7-5-9-18(26)13-16)25(35)31(28-21)20-11-4-3-10-19(20)27/h3-5,7,9-11,13,17H,2,6,8,12,14-15H2,1H3/t17-/m0/s1

InChI Key

YCXSRDBEPSWCKU-KRWDZBQOSA-N

MDL Number (MFCD)

MFCD19838164

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

514.94

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

3.848

Distribution Coefficient, logD

3.848

Water Solubility, LogSw

-4.20

Polar Surface Area

79.279

Acid Dissociation Constant (pKa)

22.59

Base Dissociation Constant (pKb)

-1.99

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

32.00

References: we are preparing a list of scientific research reports with V002-4261 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V002-4261?
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What is the minimum amount of V002-4261 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V002-4261
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V002-4261
  • 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 V002-4261 available by request