V004-2756 Screening compound: N-benzyl-2-{[2-(3-methylbutanoyl)-1-(4-methylphenyl)-1,2,3,4-tetrahydroisoquinolin-7-yl]oxy}acetamide

V004-2756 Screening compound: N-benzyl-2-{[2-(3-methylbutanoyl)-1-(4-methylphenyl)-1,2,3,4-tetrahydroisoquinolin-7-yl]oxy}acetamide
V004-2756 Screening compound: N-benzyl-2-{[2-(3-methylbutanoyl)-1-(4-methylphenyl)-1,2,3,4-tetrahydroisoquinolin-7-yl]oxy}acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V004-2756
N-benzyl-2-{[2-(3-methylbutanoyl)-1-(4-methylphenyl)-1,2,3,4-tetrahydroisoquinolin-7-yl]oxy}acetamide

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

V004-2756

Molecular Formula

C30H34N2O3 (C30 H34 N2 O3)

Compound Name

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

IUPAC name

N-benzyl-2-{[2-(3-methylbutanoyl)-1-(4-methylphenyl)-1234-tetrahydroisoquinolin-7-yl]oxy}acetamide

SMILES

CC(C)CC(N(CC1)C(c2ccc(C)cc2)c2c1ccc(OCC(NCc1ccccc1)=O)c2)=O

InChI

InChI=1S/C30H34N2O3/c1-21(2)17-29(34)32-16-15-24-13-14-26(18-27(24)30(32)25-11-9-22(3)10-12-25)35-20-28(33)31-19-23-7-5-4-6-8-23/h4-14,18,21,30H,15-17,19-20H2,1-3H3,(H,31,33)/t30-/m0/s1

InChI Key

LMZZIJUXNVTYMU-PMERELPUSA-N

MDL Number (MFCD)

MFCD19916228

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

470.61

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.808

Distribution Coefficient, logD

5.808

Water Solubility, LogSw

-5.48

Polar Surface Area

47.304

Acid Dissociation Constant (pKa)

13.15

Base Dissociation Constant (pKb)

-1.84

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

33.30

References: we are preparing a list of scientific research reports with V004-2756 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V004-2756?
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What is the minimum amount of V004-2756 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V004-2756
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V004-2756
  • 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 V004-2756 available by request