V031-0310 Screening compound: 3-(2-chlorophenyl)-N-[2-(2-methoxyphenyl)ethyl]-8-(trifluoromethyl)-1H,2H,3H,4H,4aH,5H,6H-pyrazino[1,2-a]quinoline-5-carboxamide

V031-0310 Screening compound: 3-(2-chlorophenyl)-N-[2-(2-methoxyphenyl)ethyl]-8-(trifluoromethyl)-1H,2H,3H,4H,4aH,5H,6H-pyrazino[1,2-a]quinoline-5-carboxamide
V031-0310 Screening compound: 3-(2-chlorophenyl)-N-[2-(2-methoxyphenyl)ethyl]-8-(trifluoromethyl)-1H,2H,3H,4H,4aH,5H,6H-pyrazino[1,2-a]quinoline-5-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V031-0310
3-(2-chlorophenyl)-N-[2-(2-methoxyphenyl)ethyl]-8-(trifluoromethyl)-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

V031-0310

Molecular Formula

C29H29ClF3N3O2 (C29 H29 ClF3 N3 O2)

Compound Name

3-(2-chlorophenyl)-N-[2-(2-methoxyphenyl)ethyl]-8-(trifluoromethyl)-1H,2H,3H,4H,4aH,5H,6H-pyrazino[1,2-a]quinoline-5-carboxamide

IUPAC name

3-(2-chlorophenyl)-N-[2-(2-methoxyphenyl)ethyl]-8-(trifluoromethyl)-1H2H3H4H4aH5H6H-pyrazino[12-a]quinoline-5-carboxamide

SMILES

COc1c(CCNC(C(C2)C(CN(CC3)c(cccc4)c4Cl)N3c3c2cc(C(F)(F)F)cc3)=O)cccc1

InChI

InChI=1S/C29H29ClF3N3O2/c1-38-27-9-5-2-6-19(27)12-13-34-28(37)22-17-20-16-21(29(31,32)33)10-11-24(20)36-15-14-35(18-26(22)36)25-8-4-3-7-23(25)30/h2-11,16,22,26H,12-15,17-18H2,1H3,(H,34,37)

InChI Key

JRTXDQPSZJSPAG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19848405

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

544.02

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

6.100

Distribution Coefficient, logD

6.100

Water Solubility, LogSw

-6.13

Polar Surface Area

37.388

Acid Dissociation Constant (pKa)

13.12

Base Dissociation Constant (pKb)

2.76

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

34.50

V031-0310 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 V031-0310 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V031-0310?
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What is the minimum amount of V031-0310 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V031-0310
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V031-0310
  • 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 V031-0310 available by request