V021-8096 Screening compound: N-[2-(dimethylamino)ethyl]-9-methoxy-3-(4-methylphenyl)-1H,2H,3H,4H,4aH,5H,6H-pyrazino[1,2-a]quinoline-5-carboxamide

V021-8096 Screening compound: N-[2-(dimethylamino)ethyl]-9-methoxy-3-(4-methylphenyl)-1H,2H,3H,4H,4aH,5H,6H-pyrazino[1,2-a]quinoline-5-carboxamide
V021-8096 Screening compound: N-[2-(dimethylamino)ethyl]-9-methoxy-3-(4-methylphenyl)-1H,2H,3H,4H,4aH,5H,6H-pyrazino[1,2-a]quinoline-5-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V021-8096
N-[2-(dimethylamino)ethyl]-9-methoxy-3-(4-methylphenyl)-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

V021-8096

Molecular Formula

C25H34N4O2 (C25 H34 N4 O2)

Compound Name

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

IUPAC name

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

SMILES

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

InChI

InChI=1S/C25H34N4O2/c1-18-5-8-20(9-6-18)28-13-14-29-23-16-21(31-4)10-7-19(23)15-22(24(29)17-28)25(30)26-11-12-27(2)3/h5-10,16,22,24H,11-15,17H2,1-4H3,(H,26,30)

InChI Key

BVDZRQLSHKDDIU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19848344

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

422.57

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.732

Distribution Coefficient, logD

2.103

Water Solubility, LogSw

-4.00

Polar Surface Area

41.739

Acid Dissociation Constant (pKa)

12.54

Base Dissociation Constant (pKb)

9.02

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

48.00

V021-8096 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with V021-8096 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V021-8096?
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What is the minimum amount of V021-8096 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V021-8096
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V021-8096
  • 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 V021-8096 available by request