V001-9916 Screening compound: 3-(2-chlorophenyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-1H,2H,3H,4H,4aH,5H,6H-pyrazino[1,2-a]quinoline-5-carboxamide

V001-9916 Screening compound: 3-(2-chlorophenyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-1H,2H,3H,4H,4aH,5H,6H-pyrazino[1,2-a]quinoline-5-carboxamide
V001-9916 Screening compound: 3-(2-chlorophenyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-1H,2H,3H,4H,4aH,5H,6H-pyrazino[1,2-a]quinoline-5-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V001-9916
3-(2-chlorophenyl)-N-[2-(3,4-dimethoxyphenyl)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

V001-9916

Molecular Formula

C29H32ClN3O3 (C29 H32 ClN3 O3)

Compound Name

3-(2-chlorophenyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-1H,2H,3H,4H,4aH,5H,6H-pyrazino[1,2-a]quinoline-5-carboxamide

IUPAC name

3-(2-chlorophenyl)-N-[2-(34-dimethoxyphenyl)ethyl]-1H2H3H4H4aH5H6H-pyrazino[12-a]quinoline-5-carboxamide

SMILES

COc(ccc(CCNC(C(C1)C(CN(CC2)c(cccc3)c3Cl)N2c2c1cccc2)=O)c1)c1OC

InChI

InChI=1S/C29H32ClN3O3/c1-35-27-12-11-20(17-28(27)36-2)13-14-31-29(34)22-18-21-7-3-5-9-24(21)33-16-15-32(19-26(22)33)25-10-6-4-8-23(25)30/h3-12,17,22,26H,13-16,18-19H2,1-2H3,(H,31,34)

InChI Key

PPBQKJVSLFSVMW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19852906

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

506.04

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.431

Distribution Coefficient, logD

4.431

Water Solubility, LogSw

-4.58

Polar Surface Area

45.018

Acid Dissociation Constant (pKa)

13.12

Base Dissociation Constant (pKb)

2.76

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

34.50

V001-9916 in Drug Discovery

Included in Screening Libraries

GPCR Targeted Library (31838 compounds)

Immunological Library (6760 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
  • Immune system
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with V001-9916 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V001-9916?
Check Price and Availability of V001-9916, 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 V001-9916 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V001-9916
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V001-9916
  • 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 V001-9916 available by request