V002-4256 Screening compound: ethyl 1-[2-(4-chlorophenyl)-4-[(3-methoxyphenyl)methyl]-3,5-dioxo-2,3,4,5-tetrahydro-1,2,4-triazine-6-carbonyl]piperidine-3-carboxylate

V002-4256 Screening compound: ethyl 1-[2-(4-chlorophenyl)-4-[(3-methoxyphenyl)methyl]-3,5-dioxo-2,3,4,5-tetrahydro-1,2,4-triazine-6-carbonyl]piperidine-3-carboxylate
V002-4256 Screening compound: ethyl 1-[2-(4-chlorophenyl)-4-[(3-methoxyphenyl)methyl]-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 V002-4256
ethyl 1-[2-(4-chlorophenyl)-4-[(3-methoxyphenyl)methyl]-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

V002-4256

Molecular Formula

C26H27ClN4O6 (C26 H27 ClN4 O6)

Compound Name

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

IUPAC name

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

SMILES

CCOC(C(CCC1)CN1C(C(C(N1Cc2cc(OC)ccc2)=O)=NN(c(cc2)ccc2Cl)C1=O)=O)=O

InChI

InChI=1S/C26H27ClN4O6/c1-3-37-25(34)18-7-5-13-29(16-18)23(32)22-24(33)30(15-17-6-4-8-21(14-17)36-2)26(35)31(28-22)20-11-9-19(27)10-12-20/h4,6,8-12,14,18H,3,5,7,13,15-16H2,1-2H3/t18-/m0/s1

InChI Key

QSDWIKFSJWLFAP-SFHVURJKSA-N

MDL Number (MFCD)

MFCD19839580

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

526.98

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

3.836

Distribution Coefficient, logD

3.836

Water Solubility, LogSw

-4.30

Polar Surface Area

87.124

Acid Dissociation Constant (pKa)

22.59

Base Dissociation Constant (pKb)

-1.99

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

34.60

References: we are preparing a list of scientific research reports with V002-4256 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V002-4256?
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What is the minimum amount of V002-4256 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V002-4256
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V002-4256
  • 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 V002-4256 available by request