R052-0693 Screening compound: 1-(2,4-dichlorophenyl)-decahydroisoquinolin-4a-ol

R052-0693 Screening compound: 1-(2,4-dichlorophenyl)-decahydroisoquinolin-4a-ol
R052-0693 Screening compound: 1-(2,4-dichlorophenyl)-decahydroisoquinolin-4a-ol alternative view

Chemical Structure Depiction of ChemDiv screening compound R052-0693
1-(2,4-dichlorophenyl)-decahydroisoquinolin-4a-ol

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

R052-0693

Molecular Formula

C15H19Cl2NO (C15 H19 Cl2 NO)

Compound Name

1-(2,4-dichlorophenyl)-decahydroisoquinolin-4a-ol

IUPAC name

1-(24-dichlorophenyl)-decahydroisoquinolin-4a-ol

SMILES

OC1(CCCC2)C2C(c(ccc(Cl)c2)c2Cl)NCC1

InChI

InChI=1S/C15H19Cl2NO/c16-10-4-5-11(13(17)9-10)14-12-3-1-2-6-15(12,19)7-8-18-14/h4-5,9,12,14,18-19H,1-3,6-8H2

InChI Key

INWMRQARFUAODH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02089310

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

300.23

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

1.00

Number of Nitrogen and Oxygen Atoms

2

Partition Coefficient, logP

3.782

Distribution Coefficient, logD

2.821

Water Solubility, LogSw

-3.45

Polar Surface Area

27.368

Acid Dissociation Constant (pKa)

16.76

Base Dissociation Constant (pKb)

8.31

Number of Chiral Centers

3.00

Percent sp3 carbon bonding

60.00

R052-0693 in Drug Discovery

Included in Screening Libraries

CNS BBB Library (22607 compounds)

Akt-Targeted Library (14764 compounds)

MDM2-p53 interaction inhibitors Library (21687 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Cancer
Targets:
  • Kinases
Mechanism of action:
  • PPI modulators
Agro:
  • Agro

References: we are preparing a list of scientific research reports with R052-0693 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound R052-0693?
Check Price and Availability of R052-0693, 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 R052-0693 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for R052-0693
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for R052-0693
  • 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 R052-0693 available by request