Y207-5572 Screening compound: 2-(2-chlorobenzyl)-1-[4-(diethylamino)phenyl]octahydro-4a(2H)-isoquinolinol

Y207-5572 Screening compound: 2-(2-chlorobenzyl)-1-[4-(diethylamino)phenyl]octahydro-4a(2H)-isoquinolinol
Y207-5572 Screening compound: 2-(2-chlorobenzyl)-1-[4-(diethylamino)phenyl]octahydro-4a(2H)-isoquinolinol alternative view

Chemical Structure Depiction of ChemDiv screening compound Y207-5572
2-(2-chlorobenzyl)-1-[4-(diethylamino)phenyl]octahydro-4a(2H)-isoquinolinol

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

Y207-5572

Molecular Formula

C26H35ClN2O (C26 H35 ClN2 O)

Compound Name

2-(2-chlorobenzyl)-1-[4-(diethylamino)phenyl]octahydro-4a(2H)-isoquinolinol

IUPAC name

2-[(2-chlorophenyl)methyl]-1-[4-(diethylamino)phenyl]-decahydroisoquinolin-4a-ol

SMILES

CCN(CC)c1ccc(C(C2CCCC3)N(Cc(cccc4)c4Cl)CCC23O)cc1

InChI

InChI=1S/C26H35ClN2O/c1-3-28(4-2)22-14-12-20(13-15-22)25-23-10-7-8-16-26(23,30)17-18-29(25)19-21-9-5-6-11-24(21)27/h5-6,9,11-15,23,25,30H,3-4,7-8,10,16-19H2,1-2H3

InChI Key

FHTHNPSINGICMV-UHFFFAOYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

427.03

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

5.988

Distribution Coefficient, logD

5.861

Water Solubility, LogSw

-5.86

Polar Surface Area

21.058

Acid Dissociation Constant (pKa)

16.76

Base Dissociation Constant (pKb)

6.93

Number of Chiral Centers

3.00

Percent sp3 carbon bonding

53.85

Y207-5572 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with Y207-5572 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y207-5572?
Check Price and Availability of Y207-5572, 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 Y207-5572 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y207-5572
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y207-5572
  • 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 Y207-5572 available by request