V015-8017 Screening compound: ethyl 2-methyl-4-(3-methylphenyl)-1-({3-[4-(4-nitrophenyl)piperazine-1-carbonyl]phenyl}methyl)-6-oxo-1,4,5,6-tetrahydropyridine-3-carboxylate

V015-8017 Screening compound: ethyl 2-methyl-4-(3-methylphenyl)-1-({3-[4-(4-nitrophenyl)piperazine-1-carbonyl]phenyl}methyl)-6-oxo-1,4,5,6-tetrahydropyridine-3-carboxylate
V015-8017 Screening compound: ethyl 2-methyl-4-(3-methylphenyl)-1-({3-[4-(4-nitrophenyl)piperazine-1-carbonyl]phenyl}methyl)-6-oxo-1,4,5,6-tetrahydropyridine-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound V015-8017
ethyl 2-methyl-4-(3-methylphenyl)-1-({3-[4-(4-nitrophenyl)piperazine-1-carbonyl]phenyl}methyl)-6-oxo-1,4,5,6-tetrahydropyridine-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

V015-8017

Molecular Formula

C34H36N4O6 (C34 H36 N4 O6)

Compound Name

ethyl 2-methyl-4-(3-methylphenyl)-1-({3-[4-(4-nitrophenyl)piperazine-1-carbonyl]phenyl}methyl)-6-oxo-1,4,5,6-tetrahydropyridine-3-carboxylate

IUPAC name

ethyl 2-methyl-4-(3-methylphenyl)-1-({3-[4-(4-nitrophenyl)piperazine-1-carbonyl]phenyl}methyl)-6-oxo-1456-tetrahydropyridine-3-carboxylate

SMILES

CCOC(C(C(C1)c2cc(C)ccc2)=C(C)N(Cc2cccc(C(N(CC3)CCN3c(cc3)ccc3[N+]([O-])=O)=O)c2)C1=O)=O

InChI

InChI=1S/C34H36N4O6/c1-4-44-34(41)32-24(3)37(31(39)21-30(32)26-9-5-7-23(2)19-26)22-25-8-6-10-27(20-25)33(40)36-17-15-35(16-18-36)28-11-13-29(14-12-28)38(42)43/h5-14,19-20,30H,4,15-18,21-22H2,1-3H3/t30-/m1/s1

InChI Key

QTGAQJZVQSZCMF-SSEXGKCCSA-N

MDL Number (MFCD)

MFCD14243172

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

596.68

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

5.045

Distribution Coefficient, logD

5.045

Water Solubility, LogSw

-4.73

Polar Surface Area

89.892

Acid Dissociation Constant (pKa)

18.86

Base Dissociation Constant (pKb)

-1.26

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

32.40

References: we are preparing a list of scientific research reports with V015-8017 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V015-8017?
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What is the minimum amount of V015-8017 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V015-8017
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V015-8017
  • 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 V015-8017 available by request