V018-0472 Screening compound: 9-methoxy-3-(4-methylphenyl)-N-[2-(morpholin-4-yl)ethyl]-1H,2H,3H,4H,4aH,5H,6H-pyrazino[1,2-a]quinoline-5-carboxamide

V018-0472 Screening compound: 9-methoxy-3-(4-methylphenyl)-N-[2-(morpholin-4-yl)ethyl]-1H,2H,3H,4H,4aH,5H,6H-pyrazino[1,2-a]quinoline-5-carboxamide
V018-0472 Screening compound: 9-methoxy-3-(4-methylphenyl)-N-[2-(morpholin-4-yl)ethyl]-1H,2H,3H,4H,4aH,5H,6H-pyrazino[1,2-a]quinoline-5-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V018-0472
9-methoxy-3-(4-methylphenyl)-N-[2-(morpholin-4-yl)ethyl]-1H,2H,3H,4H,4aH,5H,6H-pyrazino[1,2-a]quinoline-5-carboxamide

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

V018-0472

Molecular Formula

C27H36N4O3 (C27 H36 N4 O3)

Compound Name

9-methoxy-3-(4-methylphenyl)-N-[2-(morpholin-4-yl)ethyl]-1H,2H,3H,4H,4aH,5H,6H-pyrazino[1,2-a]quinoline-5-carboxamide

IUPAC name

9-methoxy-3-(4-methylphenyl)-N-[2-(morpholin-4-yl)ethyl]-1H2H3H4H4aH5H6H-pyrazino[12-a]quinoline-5-carboxamide

SMILES

Cc(cc1)ccc1N(CC1)CC(C(C2)C(NCCN3CCOCC3)=O)N1c1c2ccc(OC)c1

InChI

InChI=1S/C27H36N4O3/c1-20-3-6-22(7-4-20)30-11-12-31-25-18-23(33-2)8-5-21(25)17-24(26(31)19-30)27(32)28-9-10-29-13-15-34-16-14-29/h3-8,18,24,26H,9-17,19H2,1-2H3,(H,28,32)

InChI Key

OCCGTHSSZLNUSS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19855586

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

464.61

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.469

Distribution Coefficient, logD

3.378

Water Solubility, LogSw

-3.65

Polar Surface Area

49.493

Acid Dissociation Constant (pKa)

12.54

Base Dissociation Constant (pKb)

6.77

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

51.90

References: we are preparing a list of scientific research reports with V018-0472 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V018-0472?
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What is the minimum amount of V018-0472 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V018-0472
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V018-0472
  • 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 V018-0472 available by request