4917-0137 Screening compound: 2-(3-methoxyphenyl)-3a,4,7,7a-tetrahydro-1H-spiro[2-aza-4,7-methanoisoindole-8,1'-cyclopropane]-1,3(2H)-dione

4917-0137 Screening compound: 2-(3-methoxyphenyl)-3a,4,7,7a-tetrahydro-1H-spiro[2-aza-4,7-methanoisoindole-8,1'-cyclopropane]-1,3(2H)-dione
4917-0137 Screening compound: 2-(3-methoxyphenyl)-3a,4,7,7a-tetrahydro-1H-spiro[2-aza-4,7-methanoisoindole-8,1'-cyclopropane]-1,3(2H)-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound 4917-0137
2-(3-methoxyphenyl)-3a,4,7,7a-tetrahydro-1H-spiro[2-aza-4,7-methanoisoindole-8,1'-cyclopropane]-1,3(2H)-dione

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

4917-0137

Molecular Formula

C18H17NO3 (C18 H17 NO3)

Compound Name

2-(3-methoxyphenyl)-3a,4,7,7a-tetrahydro-1H-spiro[2-aza-4,7-methanoisoindole-8,1'-cyclopropane]-1,3(2H)-dione

IUPAC name

4'-(3-methoxyphenyl)-4'-azaspiro[cyclopropane-110'-tricyclo[5.2.1.0^{26}]decan]-8'-ene-3'5'-dione

SMILES

COc1cccc(N(C(C(C23)C4C=CC3C43CC3)=O)C2=O)c1

InChI

InChI=1S/C18H17NO3/c1-22-11-4-2-3-10(9-11)19-16(20)14-12-5-6-13(15(14)17(19)21)18(12)7-8-18/h2-6,9,12-15H,7-8H2,1H3

InChI Key

JMGCUNPKFPPRLU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00511177

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

295.34

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

1.563

Distribution Coefficient, logD

1.563

Water Solubility, LogSw

-1.91

Polar Surface Area

37.520

Acid Dissociation Constant (pKa)

16.42

Base Dissociation Constant (pKb)

-5.77

Number of Chiral Centers

4.00

Percent sp3 carbon bonding

44.40

4917-0137 in Drug Discovery

Included in Screening Libraries

CNS MPO Library (28609 compounds)

Dark Chemical Matter Library (18430 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
Structure:
  • Pool

References: we are preparing a list of scientific research reports with 4917-0137 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4917-0137?
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What is the minimum amount of 4917-0137 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4917-0137
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4917-0137
  • 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 4917-0137 available by request