V017-1922 Screening compound: N-(cyclopropylmethyl)-3-(4-fluorophenyl)-2,3,4,4a,5,6-hexahydro-1H-pyrazino[1,2-a]quinoline-5-carboxamide

V017-1922 Screening compound: N-(cyclopropylmethyl)-3-(4-fluorophenyl)-2,3,4,4a,5,6-hexahydro-1H-pyrazino[1,2-a]quinoline-5-carboxamide
V017-1922 Screening compound: N-(cyclopropylmethyl)-3-(4-fluorophenyl)-2,3,4,4a,5,6-hexahydro-1H-pyrazino[1,2-a]quinoline-5-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V017-1922
N-(cyclopropylmethyl)-3-(4-fluorophenyl)-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

V017-1922

Molecular Formula

C23H26FN3O (C23 H26 FN3 O)

Compound Name

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

IUPAC name

N-(cyclopropylmethyl)-3-(4-fluorophenyl)-1H2H3H4H4aH5H6H-pyrazino[12-a]quinoline-5-carboxamide

SMILES

O=C(C(C1)C(CN(CC2)c(cc3)ccc3F)N2c2c1cccc2)NCC1CC1

InChI

InChI=1S/C23H26FN3O/c24-18-7-9-19(10-8-18)26-11-12-27-21-4-2-1-3-17(21)13-20(22(27)15-26)23(28)25-14-16-5-6-16/h1-4,7-10,16,20,22H,5-6,11-15H2,(H,25,28)

InChI Key

AHRMVLWADVXUDR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19847585

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

379.48

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.074

Distribution Coefficient, logD

4.074

Water Solubility, LogSw

-4.16

Polar Surface Area

30.740

Acid Dissociation Constant (pKa)

14.66

Base Dissociation Constant (pKb)

7.81

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

43.48

V017-1922 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

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 V017-1922 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V017-1922?
Check Price and Availability of V017-1922, 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 V017-1922 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V017-1922
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V017-1922
  • 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 V017-1922 available by request