V018-8637 Screening compound: 3-(2-fluorophenyl)-N-[2-(2-thienyl)ethyl]-2,3,4,4a,5,6-hexahydro-1H-pyrazino[1,2-a]quinoline-5-carboxamide

V018-8637 Screening compound: 3-(2-fluorophenyl)-N-[2-(2-thienyl)ethyl]-2,3,4,4a,5,6-hexahydro-1H-pyrazino[1,2-a]quinoline-5-carboxamide
V018-8637 Screening compound: 3-(2-fluorophenyl)-N-[2-(2-thienyl)ethyl]-2,3,4,4a,5,6-hexahydro-1H-pyrazino[1,2-a]quinoline-5-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V018-8637
3-(2-fluorophenyl)-N-[2-(2-thienyl)ethyl]-2,3,4,4a,5,6-hexahydro-1H-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

V018-8637

Molecular Formula

C25H26FN3OS (C25 H26 FN3 OS)

Compound Name

3-(2-fluorophenyl)-N-[2-(2-thienyl)ethyl]-2,3,4,4a,5,6-hexahydro-1H-pyrazino[1,2-a]quinoline-5-carboxamide

IUPAC name

3-(2-fluorophenyl)-N-[2-(thiophen-2-yl)ethyl]-1H2H3H4H4aH5H6H-pyrazino[12-a]quinoline-5-carboxamide

SMILES

O=C(C(C1)C(CN(CC2)c(cccc3)c3F)N2c2c1cccc2)NCCc1cccs1

InChI

InChI=1S/C25H26FN3OS/c26-21-8-2-4-10-23(21)28-13-14-29-22-9-3-1-6-18(22)16-20(24(29)17-28)25(30)27-12-11-19-7-5-15-31-19/h1-10,15,20,24H,11-14,16-17H2,(H,27,30)

InChI Key

UKKXVKMFGLWTHY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19852867

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

435.57

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.377

Distribution Coefficient, logD

4.377

Water Solubility, LogSw

-4.22

Polar Surface Area

30.776

Acid Dissociation Constant (pKa)

13.26

Base Dissociation Constant (pKb)

6.76

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

32.00

References: we are preparing a list of scientific research reports with V018-8637 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V018-8637?
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What is the minimum amount of V018-8637 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V018-8637
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V018-8637
  • 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 V018-8637 available by request