4237-0168 Screening compound: 2-[6-CHLORO-4-METHYL-3,4-DIHYDRO-2(1H)-ISOQUINOLINYL]-1-ETHANOL

4237-0168 Screening compound: 2-[6-CHLORO-4-METHYL-3,4-DIHYDRO-2(1H)-ISOQUINOLINYL]-1-ETHANOL
4237-0168 Screening compound: 2-[6-CHLORO-4-METHYL-3,4-DIHYDRO-2(1H)-ISOQUINOLINYL]-1-ETHANOL alternative view

Chemical Structure Depiction of ChemDiv screening compound 4237-0168
2-[6-CHLORO-4-METHYL-3,4-DIHYDRO-2(1H)-ISOQUINOLINYL]-1-ETHANOL

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

4237-0168

Molecular Formula

C12H16ClNO (C12 H16 ClNO)

Compound Name

2-[6-CHLORO-4-METHYL-3,4-DIHYDRO-2(1H)-ISOQUINOLINYL]-1-ETHANOL

IUPAC name

n/a

SMILES

CC(CN(CCO)C1)c2c1ccc(Cl)c2

InChI

InChI=1S/C12H16ClNO/c1-9-7-14(4-5-15)8-10-2-3-11(13)6-12(9)10/h2-3,6,9,15H,4-5,7-8H2,1H3/t9-/m0/s1

InChI Key

XWDZMNWNJQMDDZ-VIFPVBQESA-N

MDL Number (MFCD)

MFCD00452691

Chemical and Physical Properties

Saltdata

HCl

Molecular Weight

225.72

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

2

Partition Coefficient, logP

2.580

Distribution Coefficient, logD

2.511

Water Solubility, LogSw

-2.82

Polar Surface Area

20.472

Acid Dissociation Constant (pKa)

14.97

Base Dissociation Constant (pKb)

6.64

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

50.00

4237-0168 in Drug Discovery

Included in Screening Libraries

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with 4237-0168 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4237-0168?
Check Price and Availability of 4237-0168, 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 4237-0168 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4237-0168
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4237-0168
  • 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 4237-0168 available by request