V010-4558 Screening compound: 2-[1-(2-chlorophenyl)-3,4-dihydro-2(1H)-isoquinolinyl]-2-oxoethyl acetate

V010-4558 Screening compound: 2-[1-(2-chlorophenyl)-3,4-dihydro-2(1H)-isoquinolinyl]-2-oxoethyl acetate
V010-4558 Screening compound: 2-[1-(2-chlorophenyl)-3,4-dihydro-2(1H)-isoquinolinyl]-2-oxoethyl acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound V010-4558
2-[1-(2-chlorophenyl)-3,4-dihydro-2(1H)-isoquinolinyl]-2-oxoethyl acetate

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

V010-4558

Molecular Formula

C19H18ClNO3 (C19 H18 ClNO3)

Compound Name

2-[1-(2-chlorophenyl)-3,4-dihydro-2(1H)-isoquinolinyl]-2-oxoethyl acetate

IUPAC name

2-[1-(2-chlorophenyl)-1234-tetrahydroisoquinolin-2-yl]-2-oxoethyl acetate

SMILES

CC(OCC(N(CCc1c2cccc1)C2c(cccc1)c1Cl)=O)=O

InChI

InChI=1S/C19H18ClNO3/c1-13(22)24-12-18(23)21-11-10-14-6-2-3-7-15(14)19(21)16-8-4-5-9-17(16)20/h2-9,19H,10-12H2,1H3/t19-/m0/s1

InChI Key

GJAKTQSXFUIGOH-IBGZPJMESA-N

MDL Number (MFCD)

MFCD19957700

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

343.81

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

3.900

Distribution Coefficient, logD

3.900

Water Solubility, LogSw

-4.06

Polar Surface Area

36.836

Acid Dissociation Constant (pKa)

22.38

Base Dissociation Constant (pKb)

-4.85

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

26.32

References: we are preparing a list of scientific research reports with V010-4558 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V010-4558?
Check Price and Availability of V010-4558, 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 V010-4558 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V010-4558
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V010-4558
  • 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 V010-4558 available by request