V003-1298 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-4-carboxylate

V003-1298 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-4-carboxylate
V003-1298 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-4-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound V003-1298
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-4-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

V003-1298

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-4-carboxylate

IUPAC name

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

SMILES

CCOC(C(CC1)CCN1C(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)20-10-12-30(13-11-20)24(33)23-25(34)31(16-19-7-5-6-17(2)14-19)27(36)32(29-23)21-9-8-18(3)22(28)15-21/h5-9,14-15,20H,4,10-13,16H2,1-3H3

InChI Key

DOFOOGFXAGRVHL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19841175

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

5.056

Distribution Coefficient, logD

5.056

Water Solubility, LogSw

-5.25

Polar Surface Area

79.647

Acid Dissociation Constant (pKa)

23.24

Base Dissociation Constant (pKb)

-1.08

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

37.00

References: we are preparing a list of scientific research reports with V003-1298 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V003-1298?
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What is the minimum amount of V003-1298 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V003-1298
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V003-1298
  • 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 V003-1298 available by request