V031-2171 Screening compound: 2-ethyl-1-[1-(4-methylphenyl)-1,2,3,4-tetrahydroisoquinolin-2-yl]butan-1-one

V031-2171 Screening compound: 2-ethyl-1-[1-(4-methylphenyl)-1,2,3,4-tetrahydroisoquinolin-2-yl]butan-1-one
V031-2171 Screening compound: 2-ethyl-1-[1-(4-methylphenyl)-1,2,3,4-tetrahydroisoquinolin-2-yl]butan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound V031-2171
2-ethyl-1-[1-(4-methylphenyl)-1,2,3,4-tetrahydroisoquinolin-2-yl]butan-1-one

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

V031-2171

Molecular Formula

C22H27NO (C22 H27 NO)

Compound Name

2-ethyl-1-[1-(4-methylphenyl)-1,2,3,4-tetrahydroisoquinolin-2-yl]butan-1-one

IUPAC name

2-ethyl-1-[1-(4-methylphenyl)-1234-tetrahydroisoquinolin-2-yl]butan-1-one

SMILES

CCC(CC)C(N(CC1)C(c2ccc(C)cc2)c2c1cccc2)=O

InChI

InChI=1S/C22H27NO/c1-4-17(5-2)22(24)23-15-14-18-8-6-7-9-20(18)21(23)19-12-10-16(3)11-13-19/h6-13,17,21H,4-5,14-15H2,1-3H3/t21-/m0/s1

InChI Key

VJUMFZBCOFTWOE-NRFANRHFSA-N

MDL Number (MFCD)

MFCD19957719

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

321.46

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

2

Partition Coefficient, logP

5.821

Distribution Coefficient, logD

5.821

Water Solubility, LogSw

-5.49

Polar Surface Area

16.133

Acid Dissociation Constant (pKa)

22.78

Base Dissociation Constant (pKb)

-3.79

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

40.90

V031-2171 in Drug Discovery

Included in Screening Libraries

Anti-Aging Library (44940 compounds)

Voltage-Gated Ion Channel-Targeted Library (4740 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Metabolic
  • Immune system
  • Nervous system
Mechanism of action:
  • Epigenetic
Targets:
  • Ion Channels

References: we are preparing a list of scientific research reports with V031-2171 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V031-2171?
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What is the minimum amount of V031-2171 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V031-2171
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V031-2171
  • 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 V031-2171 available by request