8008-9982 Screening compound: (1'Z)-N-(3,5-dichlorophenyl)-2',4'-dihydro-1'H-spiro[cyclohexane-1,3'-isoquinolin]-1'-imine

8008-9982 Screening compound: (1'Z)-N-(3,5-dichlorophenyl)-2',4'-dihydro-1'H-spiro[cyclohexane-1,3'-isoquinolin]-1'-imine
8008-9982 Screening compound: (1'Z)-N-(3,5-dichlorophenyl)-2',4'-dihydro-1'H-spiro[cyclohexane-1,3'-isoquinolin]-1'-imine alternative view

Chemical Structure Depiction of ChemDiv screening compound 8008-9982
(1'Z)-N-(3,5-dichlorophenyl)-2',4'-dihydro-1'H-spiro[cyclohexane-1,3'-isoquinolin]-1'-imine

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

8008-9982

Molecular Formula

C20H20Cl2N2 (C20 H20 Cl2 N2)

Compound Name

(1'Z)-N-(3,5-dichlorophenyl)-2',4'-dihydro-1'H-spiro[cyclohexane-1,3'-isoquinolin]-1'-imine

IUPAC name

(1'Z)-N-(35-dichlorophenyl)-2'4'-dihydro-1'H-spiro[cyclohexane-13'-isoquinolin]-1'-imine

SMILES

Clc1cc(/N=C2\NC3(CCCCC3)Cc3c2cccc3)cc(Cl)c1

InChI

InChI=1S/C20H20Cl2N2/c21-15-10-16(22)12-17(11-15)23-19-18-7-3-2-6-14(18)13-20(24-19)8-4-1-5-9-20/h2-3,6-7,10-12H,1,4-5,8-9,13H2,(H,23,24)

InChI Key

DTWRPBVXBPZOFQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01460683

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

359.3

Hydrogen Bond Acceptors Count

1.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

1.00

Number of Nitrogen and Oxygen Atoms

2

Partition Coefficient, logP

5.927

Distribution Coefficient, logD

5.921

Water Solubility, LogSw

-6.40

Polar Surface Area

19.841

Acid Dissociation Constant (pKa)

12.26

Base Dissociation Constant (pKb)

5.60

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

35.00

8008-9982 in Drug Discovery

Included in Screening Libraries

Eccentric PPI Library (11937 compounds)

Protein-Protein Interaction Library (218420 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Cyclic compounds

References: we are preparing a list of scientific research reports with 8008-9982 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8008-9982?
Check Price and Availability of 8008-9982, 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 8008-9982 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8008-9982
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8008-9982
  • 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 8008-9982 available by request