V031-1016 Screening compound: N~5~-(3-morpholinopropyl)-3-(2-pyrimidinyl)-2,3,4,4a,5,6-hexahydro-1H-pyrazino[1,2-a]quinoline-5-carboxamide

V031-1016 Screening compound: N~5~-(3-morpholinopropyl)-3-(2-pyrimidinyl)-2,3,4,4a,5,6-hexahydro-1H-pyrazino[1,2-a]quinoline-5-carboxamide
V031-1016 Screening compound: N~5~-(3-morpholinopropyl)-3-(2-pyrimidinyl)-2,3,4,4a,5,6-hexahydro-1H-pyrazino[1,2-a]quinoline-5-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V031-1016
N~5~-(3-morpholinopropyl)-3-(2-pyrimidinyl)-2,3,4,4a,5,6-hexahydro-1H-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

V031-1016

Molecular Formula

C24H32N6O2 (C24 H32 N6 O2)

Compound Name

N~5~-(3-morpholinopropyl)-3-(2-pyrimidinyl)-2,3,4,4a,5,6-hexahydro-1H-pyrazino[1,2-a]quinoline-5-carboxamide

IUPAC name

n/a

SMILES

O=C(C(C1)C(CN(CC2)c3ncccn3)N2c2c1cccc2)NCCCN1CCOCC1

InChI

InChI=1S/C24H32N6O2/c31-23(25-9-4-10-28-13-15-32-16-14-28)20-17-19-5-1-2-6-21(19)30-12-11-29(18-22(20)30)24-26-7-3-8-27-24/h1-3,5-8,20,22H,4,9-18H2,(H,25,31)

InChI Key

HEJOCFWGJPBAMR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19852894

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

436.56

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

1.745

Distribution Coefficient, logD

1.322

Water Solubility, LogSw

-2.34

Polar Surface Area

60.312

Acid Dissociation Constant (pKa)

14.26

Base Dissociation Constant (pKb)

7.62

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

54.20

V031-1016 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer

References: we are preparing a list of scientific research reports with V031-1016 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V031-1016?
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What is the minimum amount of V031-1016 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V031-1016
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V031-1016
  • 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 V031-1016 available by request