V008-9202 Screening compound: ethyl 1-[2-(3,4-dimethoxyphenyl)-4-[(2-methylphenyl)methyl]-3,5-dioxo-2,3,4,5-tetrahydro-1,2,4-triazine-6-carbonyl]piperidine-3-carboxylate

V008-9202 Screening compound: ethyl 1-[2-(3,4-dimethoxyphenyl)-4-[(2-methylphenyl)methyl]-3,5-dioxo-2,3,4,5-tetrahydro-1,2,4-triazine-6-carbonyl]piperidine-3-carboxylate
V008-9202 Screening compound: ethyl 1-[2-(3,4-dimethoxyphenyl)-4-[(2-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 V008-9202
ethyl 1-[2-(3,4-dimethoxyphenyl)-4-[(2-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

V008-9202

Molecular Formula

C28H32N4O7 (C28 H32 N4 O7)

Compound Name

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

IUPAC name

ethyl 1-[2-(34-dimethoxyphenyl)-4-[(2-methylphenyl)methyl]-35-dioxo-2345-tetrahydro-124-triazine-6-carbonyl]piperidine-3-carboxylate

SMILES

CCOC(C(CCC1)CN1C(C(C(N1Cc2c(C)cccc2)=O)=NN(c(cc2)cc(OC)c2OC)C1=O)=O)=O

InChI

InChI=1S/C28H32N4O7/c1-5-39-27(35)20-11-8-14-30(16-20)25(33)24-26(34)31(17-19-10-7-6-9-18(19)2)28(36)32(29-24)21-12-13-22(37-3)23(15-21)38-4/h6-7,9-10,12-13,15,20H,5,8,11,14,16-17H2,1-4H3/t20-/m0/s1

InChI Key

ZFIHYHDAAFPJOK-FQEVSTJZSA-N

MDL Number (MFCD)

MFCD19840477

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

536.58

Hydrogen Bond Acceptors Count

12.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

11

Partition Coefficient, logP

3.467

Distribution Coefficient, logD

3.467

Water Solubility, LogSw

-3.52

Polar Surface Area

94.841

Acid Dissociation Constant (pKa)

22.59

Base Dissociation Constant (pKb)

-1.99

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

39.30

References: we are preparing a list of scientific research reports with V008-9202 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V008-9202?
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What is the minimum amount of V008-9202 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V008-9202
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V008-9202
  • 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 V008-9202 available by request