V004-0563 Screening compound: 3-[(4-chlorophenyl)methyl]-9-methoxy-N-(1-phenylethyl)-1H,2H,3H,4H,4aH,5H,6H-pyrazino[1,2-a]quinoline-5-carboxamide

V004-0563 Screening compound: 3-[(4-chlorophenyl)methyl]-9-methoxy-N-(1-phenylethyl)-1H,2H,3H,4H,4aH,5H,6H-pyrazino[1,2-a]quinoline-5-carboxamide
V004-0563 Screening compound: 3-[(4-chlorophenyl)methyl]-9-methoxy-N-(1-phenylethyl)-1H,2H,3H,4H,4aH,5H,6H-pyrazino[1,2-a]quinoline-5-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V004-0563
3-[(4-chlorophenyl)methyl]-9-methoxy-N-(1-phenylethyl)-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

V004-0563

Molecular Formula

C29H32ClN3O2 (C29 H32 ClN3 O2)

Compound Name

3-[(4-chlorophenyl)methyl]-9-methoxy-N-(1-phenylethyl)-1H,2H,3H,4H,4aH,5H,6H-pyrazino[1,2-a]quinoline-5-carboxamide

IUPAC name

3-[(4-chlorophenyl)methyl]-9-methoxy-N-(1-phenylethyl)-1H2H3H4H4aH5H6H-pyrazino[12-a]quinoline-5-carboxamide

SMILES

CC(c1ccccc1)NC(C(C1)C(CN(Cc(cc2)ccc2Cl)CC2)N2c2c1ccc(OC)c2)=O

InChI

InChI=1S/C29H32ClN3O2/c1-20(22-6-4-3-5-7-22)31-29(34)26-16-23-10-13-25(35-2)17-27(23)33-15-14-32(19-28(26)33)18-21-8-11-24(30)12-9-21/h3-13,17,20,26,28H,14-16,18-19H2,1-2H3,(H,31,34)

InChI Key

QAIYRSQDAWAHMC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19848304

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

490.04

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.371

Distribution Coefficient, logD

4.876

Water Solubility, LogSw

-6.00

Polar Surface Area

37.204

Acid Dissociation Constant (pKa)

11.73

Base Dissociation Constant (pKb)

7.73

Number of Chiral Centers

3.00

Percent sp3 carbon bonding

34.50

References: we are preparing a list of scientific research reports with V004-0563 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V004-0563?
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What is the minimum amount of V004-0563 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V004-0563
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V004-0563
  • 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 V004-0563 available by request