V008-4698 Screening compound: 2-ethyl-1-[1-(4-methylphenyl)-1,2,3,4-tetrahydroisoquinolin-2-yl]hexan-1-one

V008-4698 Screening compound: 2-ethyl-1-[1-(4-methylphenyl)-1,2,3,4-tetrahydroisoquinolin-2-yl]hexan-1-one
V008-4698 Screening compound: 2-ethyl-1-[1-(4-methylphenyl)-1,2,3,4-tetrahydroisoquinolin-2-yl]hexan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound V008-4698
2-ethyl-1-[1-(4-methylphenyl)-1,2,3,4-tetrahydroisoquinolin-2-yl]hexan-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

V008-4698

Molecular Formula

C24H31NO (C24 H31 NO)

Compound Name

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

IUPAC name

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

SMILES

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

InChI

InChI=1S/C24H31NO/c1-4-6-9-19(5-2)24(26)25-17-16-20-10-7-8-11-22(20)23(25)21-14-12-18(3)13-15-21/h7-8,10-15,19,23H,4-6,9,16-17H2,1-3H3

InChI Key

KASMRSJZMDHWBP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19957660

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

349.52

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

2

Partition Coefficient, logP

6.775

Distribution Coefficient, logD

6.775

Water Solubility, LogSw

-5.64

Polar Surface Area

16.133

Acid Dissociation Constant (pKa)

22.80

Base Dissociation Constant (pKb)

-3.84

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

45.80

V008-4698 in Drug Discovery

Included in Screening Libraries

Cardiovascular Library (22201 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cardiovascular

References: we are preparing a list of scientific research reports with V008-4698 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V008-4698?
Check Price and Availability of V008-4698, 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 V008-4698 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V008-4698
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V008-4698
  • 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 V008-4698 available by request