V014-2809 Screening compound: N-benzyl-2-{[2-cyclopropanecarbonyl-1-(4-methylphenyl)-1,2,3,4-tetrahydroisoquinolin-7-yl]oxy}-N-methylbutanamide

V014-2809 Screening compound: N-benzyl-2-{[2-cyclopropanecarbonyl-1-(4-methylphenyl)-1,2,3,4-tetrahydroisoquinolin-7-yl]oxy}-N-methylbutanamide
V014-2809 Screening compound: N-benzyl-2-{[2-cyclopropanecarbonyl-1-(4-methylphenyl)-1,2,3,4-tetrahydroisoquinolin-7-yl]oxy}-N-methylbutanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V014-2809
N-benzyl-2-{[2-cyclopropanecarbonyl-1-(4-methylphenyl)-1,2,3,4-tetrahydroisoquinolin-7-yl]oxy}-N-methylbutanamide

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

V014-2809

Molecular Formula

C32H36N2O3 (C32 H36 N2 O3)

Compound Name

N-benzyl-2-{[2-cyclopropanecarbonyl-1-(4-methylphenyl)-1,2,3,4-tetrahydroisoquinolin-7-yl]oxy}-N-methylbutanamide

IUPAC name

N-benzyl-2-{[2-cyclopropanecarbonyl-1-(4-methylphenyl)-1234-tetrahydroisoquinolin-7-yl]oxy}-N-methylbutanamide

SMILES

CCC(C(N(C)Cc1ccccc1)=O)Oc1cc(C(c2ccc(C)cc2)N(CC2)C(C3CC3)=O)c2cc1

InChI

InChI=1S/C32H36N2O3/c1-4-29(32(36)33(3)21-23-8-6-5-7-9-23)37-27-17-16-24-18-19-34(31(35)26-14-15-26)30(28(24)20-27)25-12-10-22(2)11-13-25/h5-13,16-17,20,26,29-30H,4,14-15,18-19,21H2,1-3H3

InChI Key

CAUIQZJWDSHTDV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19916910

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

496.65

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

6.574

Distribution Coefficient, logD

6.574

Water Solubility, LogSw

-5.67

Polar Surface Area

39.207

Acid Dissociation Constant (pKa)

22.07

Base Dissociation Constant (pKb)

-1.03

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

37.50

References: we are preparing a list of scientific research reports with V014-2809 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V014-2809?
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What is the minimum amount of V014-2809 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V014-2809
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V014-2809
  • 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 V014-2809 available by request