V018-0101 Screening compound: 2-{[2-cyclopentanecarbonyl-1-(4-methylphenyl)-1,2,3,4-tetrahydroisoquinolin-7-yl]oxy}-N-ethylacetamide

V018-0101 Screening compound: 2-{[2-cyclopentanecarbonyl-1-(4-methylphenyl)-1,2,3,4-tetrahydroisoquinolin-7-yl]oxy}-N-ethylacetamide
V018-0101 Screening compound: 2-{[2-cyclopentanecarbonyl-1-(4-methylphenyl)-1,2,3,4-tetrahydroisoquinolin-7-yl]oxy}-N-ethylacetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V018-0101
2-{[2-cyclopentanecarbonyl-1-(4-methylphenyl)-1,2,3,4-tetrahydroisoquinolin-7-yl]oxy}-N-ethylacetamide

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

V018-0101

Molecular Formula

C26H32N2O3 (C26 H32 N2 O3)

Compound Name

2-{[2-cyclopentanecarbonyl-1-(4-methylphenyl)-1,2,3,4-tetrahydroisoquinolin-7-yl]oxy}-N-ethylacetamide

IUPAC name

2-{[2-cyclopentanecarbonyl-1-(4-methylphenyl)-1234-tetrahydroisoquinolin-7-yl]oxy}-N-ethylacetamide

SMILES

CCNC(COc1cc(C(c2ccc(C)cc2)N(CC2)C(C3CCCC3)=O)c2cc1)=O

InChI

InChI=1S/C26H32N2O3/c1-3-27-24(29)17-31-22-13-12-19-14-15-28(26(30)21-6-4-5-7-21)25(23(19)16-22)20-10-8-18(2)9-11-20/h8-13,16,21,25H,3-7,14-15,17H2,1-2H3,(H,27,29)/t25-/m0/s1

InChI Key

BVUCGKWTZXNODJ-VWLOTQADSA-N

MDL Number (MFCD)

MFCD19979691

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

420.55

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.603

Distribution Coefficient, logD

4.603

Water Solubility, LogSw

-4.35

Polar Surface Area

48.016

Acid Dissociation Constant (pKa)

15.26

Base Dissociation Constant (pKb)

0.70

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

46.20

References: we are preparing a list of scientific research reports with V018-0101 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V018-0101?
Check Price and Availability of V018-0101, 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 V018-0101 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V018-0101
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V018-0101
  • 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 V018-0101 available by request