V009-3425 Screening compound: ethyl 1-[2-(3-chloro-4-methylphenyl)-4-[(3-methylphenyl)methyl]-3,5-dioxo-2,3,4,5-tetrahydro-1,2,4-triazine-6-carbonyl]piperidine-3-carboxylate

V009-3425 Screening compound: ethyl 1-[2-(3-chloro-4-methylphenyl)-4-[(3-methylphenyl)methyl]-3,5-dioxo-2,3,4,5-tetrahydro-1,2,4-triazine-6-carbonyl]piperidine-3-carboxylate
V009-3425 Screening compound: ethyl 1-[2-(3-chloro-4-methylphenyl)-4-[(3-methylphenyl)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 V009-3425
ethyl 1-[2-(3-chloro-4-methylphenyl)-4-[(3-methylphenyl)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

V009-3425

Molecular Formula

C27H29ClN4O5 (C27 H29 ClN4 O5)

Compound Name

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

IUPAC name

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

SMILES

CCOC(C(CCC1)CN1C(C(C(N1Cc2cc(C)ccc2)=O)=NN(c2cc(Cl)c(C)cc2)C1=O)=O)=O

InChI

InChI=1S/C27H29ClN4O5/c1-4-37-26(35)20-9-6-12-30(16-20)24(33)23-25(34)31(15-19-8-5-7-17(2)13-19)27(36)32(29-23)21-11-10-18(3)22(28)14-21/h5,7-8,10-11,13-14,20H,4,6,9,12,15-16H2,1-3H3/t20-/m0/s1

InChI Key

RGLGPSFZSFFCNK-FQEVSTJZSA-N

MDL Number (MFCD)

MFCD19841176

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

525

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

5.092

Distribution Coefficient, logD

5.092

Water Solubility, LogSw

-5.42

Polar Surface Area

79.580

Acid Dissociation Constant (pKa)

22.59

Base Dissociation Constant (pKb)

-1.99

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

37.00

V009-3425 in Drug Discovery

Included in Screening Libraries

PPI Inhibitors Tripeptide Mimetics (23972 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with V009-3425 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V009-3425?
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What is the minimum amount of V009-3425 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V009-3425
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V009-3425
  • 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 V009-3425 available by request