8006-9395 Screening compound: 2-(2,6-dimethylphenyl)-3a,4,7,7a-tetrahydro-1H-spiro[2-aza-4,7-methanoisoindole-8,1'-cyclopropane]-1,3(2H)-dione

8006-9395 Screening compound: 2-(2,6-dimethylphenyl)-3a,4,7,7a-tetrahydro-1H-spiro[2-aza-4,7-methanoisoindole-8,1'-cyclopropane]-1,3(2H)-dione
8006-9395 Screening compound: 2-(2,6-dimethylphenyl)-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 8006-9395
2-(2,6-dimethylphenyl)-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

8006-9395

Molecular Formula

C19H19NO2 (C19 H19 NO2)

Compound Name

2-(2,6-dimethylphenyl)-3a,4,7,7a-tetrahydro-1H-spiro[2-aza-4,7-methanoisoindole-8,1'-cyclopropane]-1,3(2H)-dione

IUPAC name

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

SMILES

Cc1cccc(C)c1N(C(C(C12)C3C=CC2C32CC2)=O)C1=O

InChI

InChI=1S/C19H19NO2/c1-10-4-3-5-11(2)16(10)20-17(21)14-12-6-7-13(15(14)18(20)22)19(12)8-9-19/h3-7,12-15H,8-9H2,1-2H3

InChI Key

LOTVIXZYIKRVLD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00827473

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

293.37

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

1.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

2.185

Distribution Coefficient, logD

2.185

Water Solubility, LogSw

-2.21

Polar Surface Area

29.374

Acid Dissociation Constant (pKa)

16.42

Base Dissociation Constant (pKb)

-5.81

Number of Chiral Centers

4.00

Percent sp3 carbon bonding

47.40

8006-9395 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 8006-9395 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8006-9395?
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What is the minimum amount of 8006-9395 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8006-9395
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8006-9395
  • 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 8006-9395 available by request