8015-2091 Screening compound: 1'-(chloromethyl)-4'H-spiro[cyclopentane-1,3'-isoquinoline]

8015-2091 Screening compound: 1'-(chloromethyl)-4'H-spiro[cyclopentane-1,3'-isoquinoline]
8015-2091 Screening compound: 1'-(chloromethyl)-4'H-spiro[cyclopentane-1,3'-isoquinoline] alternative view

Chemical Structure Depiction of ChemDiv screening compound 8015-2091
1'-(chloromethyl)-4'H-spiro[cyclopentane-1,3'-isoquinoline]

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

8015-2091

Molecular Formula

C14H16ClN (C14 H16 ClN)

Compound Name

1'-(chloromethyl)-4'H-spiro[cyclopentane-1,3'-isoquinoline]

IUPAC name

1'-(chloromethyl)-4'H-spiro[cyclopentane-13'-isoquinoline]

SMILES

ClCC1=NC2(CCCC2)Cc2c1cccc2

InChI

InChI=1S/C14H16ClN/c15-10-13-12-6-2-1-5-11(12)9-14(16-13)7-3-4-8-14/h1-2,5-6H,3-4,7-10H2

InChI Key

UCHUHOBELGVALR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02375807

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

233.74

Hydrogen Bond Acceptors Count

1.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

1.00

Number of Nitrogen and Oxygen Atoms

1

Partition Coefficient, logP

3.394

Distribution Coefficient, logD

3.338

Water Solubility, LogSw

-3.65

Polar Surface Area

9.098

Acid Dissociation Constant (pKa)

23.88

Base Dissociation Constant (pKb)

6.54

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

50.00

8015-2091 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Opportunistic Pathogens of Immunocompromised Hosts Annotated Library (1773 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 8015-2091 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8015-2091?
Check Price and Availability of 8015-2091, 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 8015-2091 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8015-2091
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8015-2091
  • 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 8015-2091 available by request