V014-5937 Screening compound: ethyl 4-[3-(4-methylphenyl)-8-nitro-1H,2H,3H,4H,4aH,5H,6H-pyrazino[1,2-a]quinoline-5-carbonyl]piperazine-1-carboxylate

V014-5937 Screening compound: ethyl 4-[3-(4-methylphenyl)-8-nitro-1H,2H,3H,4H,4aH,5H,6H-pyrazino[1,2-a]quinoline-5-carbonyl]piperazine-1-carboxylate
V014-5937 Screening compound: ethyl 4-[3-(4-methylphenyl)-8-nitro-1H,2H,3H,4H,4aH,5H,6H-pyrazino[1,2-a]quinoline-5-carbonyl]piperazine-1-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound V014-5937
ethyl 4-[3-(4-methylphenyl)-8-nitro-1H,2H,3H,4H,4aH,5H,6H-pyrazino[1,2-a]quinoline-5-carbonyl]piperazine-1-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

V014-5937

Molecular Formula

C27H33N5O5 (C27 H33 N5 O5)

Compound Name

ethyl 4-[3-(4-methylphenyl)-8-nitro-1H,2H,3H,4H,4aH,5H,6H-pyrazino[1,2-a]quinoline-5-carbonyl]piperazine-1-carboxylate

IUPAC name

ethyl 4-[3-(4-methylphenyl)-8-nitro-1H2H3H4H4aH5H6H-pyrazino[12-a]quinoline-5-carbonyl]piperazine-1-carboxylate

SMILES

CCOC(N(CC1)CCN1C(C(C1)C(CN(CC2)c3ccc(C)cc3)N2c(cc2)c1cc2[N+]([O-])=O)=O)=O

InChI

InChI=1S/C27H33N5O5/c1-3-37-27(34)29-12-10-28(11-13-29)26(33)23-17-20-16-22(32(35)36)8-9-24(20)31-15-14-30(18-25(23)31)21-6-4-19(2)5-7-21/h4-9,16,23,25H,3,10-15,17-18H2,1-2H3

InChI Key

INYNHQXJWSOGMX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19853174

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

507.59

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

4.052

Distribution Coefficient, logD

4.049

Water Solubility, LogSw

-4.20

Polar Surface Area

78.613

Acid Dissociation Constant (pKa)

21.54

Base Dissociation Constant (pKb)

5.18

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

48.10

References: we are preparing a list of scientific research reports with V014-5937 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V014-5937?
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What is the minimum amount of V014-5937 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V014-5937
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V014-5937
  • 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 V014-5937 available by request