V018-4381 Screening compound: 9,10-dimethoxy-4-oxo-N-phenyl-1H,2H,3H,4H,6H,7H,11bH-pyrazino[2,1-a]isoquinoline-2-carbothioamide

V018-4381 Screening compound: 9,10-dimethoxy-4-oxo-N-phenyl-1H,2H,3H,4H,6H,7H,11bH-pyrazino[2,1-a]isoquinoline-2-carbothioamide
V018-4381 Screening compound: 9,10-dimethoxy-4-oxo-N-phenyl-1H,2H,3H,4H,6H,7H,11bH-pyrazino[2,1-a]isoquinoline-2-carbothioamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V018-4381
9,10-dimethoxy-4-oxo-N-phenyl-1H,2H,3H,4H,6H,7H,11bH-pyrazino[2,1-a]isoquinoline-2-carbothioamide

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

V018-4381

Molecular Formula

C21H23N3O3S (C21 H23 N3 O3 S)

Compound Name

9,10-dimethoxy-4-oxo-N-phenyl-1H,2H,3H,4H,6H,7H,11bH-pyrazino[2,1-a]isoquinoline-2-carbothioamide

IUPAC name

910-dimethoxy-4-oxo-N-phenyl-1H2H3H4H6H7H11bH-pyrazino[21-a]isoquinoline-2-carbothioamide

SMILES

COc1cc(CCN(C2CN(C3)C(Nc4ccccc4)=S)C3=O)c2cc1OC

InChI

InChI=1S/C21H23N3O3S/c1-26-18-10-14-8-9-24-17(16(14)11-19(18)27-2)12-23(13-20(24)25)21(28)22-15-6-4-3-5-7-15/h3-7,10-11,17H,8-9,12-13H2,1-2H3,(H,22,28)/t17-/m1/s1

InChI Key

WNIQINKWLDBVSE-QGZVFWFLSA-N

MDL Number (MFCD)

MFCD19966495

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

397.5

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.254

Distribution Coefficient, logD

2.254

Water Solubility, LogSw

-3.10

Polar Surface Area

42.505

Acid Dissociation Constant (pKa)

14.62

Base Dissociation Constant (pKb)

-0.30

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

33.30

References: we are preparing a list of scientific research reports with V018-4381 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V018-4381?
Check Price and Availability of V018-4381, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of V018-4381 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V018-4381
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V018-4381
  • 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 V018-4381 available by request