V011-1238 Screening compound: 3-cyclohexyl-N-[2-(thiophen-2-yl)ethyl]-8-(trifluoromethyl)-1H,2H,3H,4H,4aH,5H,6H-pyrazino[1,2-a]quinoline-5-carboxamide

V011-1238 Screening compound: 3-cyclohexyl-N-[2-(thiophen-2-yl)ethyl]-8-(trifluoromethyl)-1H,2H,3H,4H,4aH,5H,6H-pyrazino[1,2-a]quinoline-5-carboxamide
V011-1238 Screening compound: 3-cyclohexyl-N-[2-(thiophen-2-yl)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 V011-1238
3-cyclohexyl-N-[2-(thiophen-2-yl)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

V011-1238

Molecular Formula

C26H32F3N3OS (C26 H32 F3 N3 OS)

Compound Name

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

IUPAC name

3-cyclohexyl-N-[2-(thiophen-2-yl)ethyl]-8-(trifluoromethyl)-1H2H3H4H4aH5H6H-pyrazino[12-a]quinoline-5-carboxamide

SMILES

O=C(C(C1)C(CN(CC2)C3CCCCC3)N2c2c1cc(C(F)(F)F)cc2)NCCc1cccs1

InChI

InChI=1S/C26H32F3N3OS/c27-26(28,29)19-8-9-23-18(15-19)16-22(25(33)30-11-10-21-7-4-14-34-21)24-17-31(12-13-32(23)24)20-5-2-1-3-6-20/h4,7-9,14-15,20,22,24H,1-3,5-6,10-13,16-17H2,(H,30,33)

InChI Key

NKILUCCJUQDYIG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19853323

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

491.62

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

5.270

Distribution Coefficient, logD

3.287

Water Solubility, LogSw

-5.45

Polar Surface Area

30.910

Acid Dissociation Constant (pKa)

13.26

Base Dissociation Constant (pKb)

9.38

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

57.70

V011-1238 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Bromodomain Modulators Library (5801 compounds)

GPCR Targeted Library (31838 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with V011-1238 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V011-1238?
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What is the minimum amount of V011-1238 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V011-1238
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V011-1238
  • 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 V011-1238 available by request