8017-1075 Screening compound: 1'-(3,4-dihydroisoquinolin-2(1H)-ylmethyl)-4,5,6,7,8,8a-hexahydro-3aH-spiro[cyclohepta[d][1,3]dioxole-2,3'-indol]-2'(1'H)-one

8017-1075 Screening compound: 1'-(3,4-dihydroisoquinolin-2(1H)-ylmethyl)-4,5,6,7,8,8a-hexahydro-3aH-spiro[cyclohepta[d][1,3]dioxole-2,3'-indol]-2'(1'H)-one
8017-1075 Screening compound: 1'-(3,4-dihydroisoquinolin-2(1H)-ylmethyl)-4,5,6,7,8,8a-hexahydro-3aH-spiro[cyclohepta[d][1,3]dioxole-2,3'-indol]-2'(1'H)-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 8017-1075
1'-(3,4-dihydroisoquinolin-2(1H)-ylmethyl)-4,5,6,7,8,8a-hexahydro-3aH-spiro[cyclohepta[d][1,3]dioxole-2,3'-indol]-2'(1'H)-one

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

8017-1075

Molecular Formula

C25H28N2O3 (C25 H28 N2 O3)

Compound Name

1'-(3,4-dihydroisoquinolin-2(1H)-ylmethyl)-4,5,6,7,8,8a-hexahydro-3aH-spiro[cyclohepta[d][1,3]dioxole-2,3'-indol]-2'(1'H)-one

IUPAC name

1'-[(1234-tetrahydroisoquinolin-2-yl)methyl]-1'2'456788a-octahydro-3aH-spiro[cyclohepta[d][13]dioxole-23'-indol]-2'-one

SMILES

O=C(C12OC(CCCCC3)C3O1)N(CN(CC1)Cc3c1cccc3)c1c2cccc1

InChI

InChI=1S/C25H28N2O3/c28-24-25(29-22-12-2-1-3-13-23(22)30-25)20-10-6-7-11-21(20)27(24)17-26-15-14-18-8-4-5-9-19(18)16-26/h4-11,22-23H,1-3,12-17H2

InChI Key

BVZPIBXMSLWZEV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06014118

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

404.51

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.242

Distribution Coefficient, logD

3.707

Water Solubility, LogSw

-5.20

Polar Surface Area

36.988

Acid Dissociation Constant (pKa)

23.62

Base Dissociation Constant (pKb)

8.92

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

48.00

References: we are preparing a list of scientific research reports with 8017-1075 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8017-1075?
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What is the minimum amount of 8017-1075 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8017-1075
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8017-1075
  • 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 8017-1075 available by request