V031-1513 Screening compound: N-[(furan-2-yl)methyl]-3-(4-methoxyphenyl)-1H,2H,3H,4H,4aH,5H,6H-pyrazino[1,2-a]quinoline-5-carboxamide

V031-1513 Screening compound: N-[(furan-2-yl)methyl]-3-(4-methoxyphenyl)-1H,2H,3H,4H,4aH,5H,6H-pyrazino[1,2-a]quinoline-5-carboxamide
V031-1513 Screening compound: N-[(furan-2-yl)methyl]-3-(4-methoxyphenyl)-1H,2H,3H,4H,4aH,5H,6H-pyrazino[1,2-a]quinoline-5-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V031-1513
N-[(furan-2-yl)methyl]-3-(4-methoxyphenyl)-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

V031-1513

Molecular Formula

C25H27N3O3 (C25 H27 N3 O3)

Compound Name

N-[(furan-2-yl)methyl]-3-(4-methoxyphenyl)-1H,2H,3H,4H,4aH,5H,6H-pyrazino[1,2-a]quinoline-5-carboxamide

IUPAC name

N-[(furan-2-yl)methyl]-3-(4-methoxyphenyl)-1H2H3H4H4aH5H6H-pyrazino[12-a]quinoline-5-carboxamide

SMILES

COc(cc1)ccc1N(CC1)CC(C(C2)C(NCc3ccco3)=O)N1c1c2cccc1

InChI

InChI=1S/C25H27N3O3/c1-30-20-10-8-19(9-11-20)27-12-13-28-23-7-3-2-5-18(23)15-22(24(28)17-27)25(29)26-16-21-6-4-14-31-21/h2-11,14,22,24H,12-13,15-17H2,1H3,(H,26,29)

InChI Key

QWQXXXPNPFBXLL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19847550

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

417.51

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.122

Distribution Coefficient, logD

4.119

Water Solubility, LogSw

-4.09

Polar Surface Area

45.509

Acid Dissociation Constant (pKa)

11.57

Base Dissociation Constant (pKb)

5.13

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

32.00

References: we are preparing a list of scientific research reports with V031-1513 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V031-1513?
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What is the minimum amount of V031-1513 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V031-1513
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V031-1513
  • 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 V031-1513 available by request