V004-0488 Screening compound: 2-(4-chlorophenoxy)-1-[1-(2-chlorophenyl)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-yl]ethan-1-one

V004-0488 Screening compound: 2-(4-chlorophenoxy)-1-[1-(2-chlorophenyl)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-yl]ethan-1-one
V004-0488 Screening compound: 2-(4-chlorophenoxy)-1-[1-(2-chlorophenyl)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-yl]ethan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound V004-0488
2-(4-chlorophenoxy)-1-[1-(2-chlorophenyl)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-yl]ethan-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

V004-0488

Molecular Formula

C25H23Cl2NO4 (C25 H23 Cl2 NO4)

Compound Name

2-(4-chlorophenoxy)-1-[1-(2-chlorophenyl)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-yl]ethan-1-one

IUPAC name

2-(4-chlorophenoxy)-1-[1-(2-chlorophenyl)-67-dimethoxy-1234-tetrahydroisoquinolin-2-yl]ethan-1-one

SMILES

COc1cc(CCN(C2c(cccc3)c3Cl)C(COc(cc3)ccc3Cl)=O)c2cc1OC

InChI

InChI=1S/C25H23Cl2NO4/c1-30-22-13-16-11-12-28(24(29)15-32-18-9-7-17(26)8-10-18)25(20(16)14-23(22)31-2)19-5-3-4-6-21(19)27/h3-10,13-14,25H,11-12,15H2,1-2H3/t25-/m0/s1

InChI Key

MUVMRMPCIFVZRH-VWLOTQADSA-N

MDL Number (MFCD)

MFCD19957987

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

472.37

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.187

Distribution Coefficient, logD

5.187

Water Solubility, LogSw

-5.67

Polar Surface Area

38.094

Acid Dissociation Constant (pKa)

22.38

Base Dissociation Constant (pKb)

-4.09

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

24.00

References: we are preparing a list of scientific research reports with V004-0488 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V004-0488?
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What is the minimum amount of V004-0488 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V004-0488
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V004-0488
  • 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 V004-0488 available by request