E787-0916 Screening compound: 2-(3-{1,4-dioxa-8-azaspiro[4.5]decan-8-yl}-3-oxo-1-(3,4,5-trimethoxyphenyl)propyl)-2,3-dihydro-1H-isoindol-1-one

E787-0916 Screening compound: 2-(3-{1,4-dioxa-8-azaspiro[4.5]decan-8-yl}-3-oxo-1-(3,4,5-trimethoxyphenyl)propyl)-2,3-dihydro-1H-isoindol-1-one
E787-0916 Screening compound: 2-(3-{1,4-dioxa-8-azaspiro[4.5]decan-8-yl}-3-oxo-1-(3,4,5-trimethoxyphenyl)propyl)-2,3-dihydro-1H-isoindol-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound E787-0916
2-(3-{1,4-dioxa-8-azaspiro[4.5]decan-8-yl}-3-oxo-1-(3,4,5-trimethoxyphenyl)propyl)-2,3-dihydro-1H-isoindol-1-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

E787-0916

Molecular Formula

C27H32N2O7 (C27 H32 N2 O7)

Compound Name

2-(3-{1,4-dioxa-8-azaspiro[4.5]decan-8-yl}-3-oxo-1-(3,4,5-trimethoxyphenyl)propyl)-2,3-dihydro-1H-isoindol-1-one

IUPAC name

2-(3-{14-dioxa-8-azaspiro[4.5]decan-8-yl}-3-oxo-1-(345-trimethoxyphenyl)propyl)-23-dihydro-1H-isoindol-1-one

SMILES

COc1cc(C(CC(N(CC2)CCC22OCCO2)=O)N(Cc2c3cccc2)C3=O)cc(OC)c1OC

InChI

InChI=1S/C27H32N2O7/c1-32-22-14-19(15-23(33-2)25(22)34-3)21(29-17-18-6-4-5-7-20(18)26(29)31)16-24(30)28-10-8-27(9-11-28)35-12-13-36-27/h4-7,14-15,21H,8-13,16-17H2,1-3H3/t21-/m0/s1

InChI Key

RGDAHSDJEJPQNU-NRFANRHFSA-N

MDL Number (MFCD)

MFCD14919705

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

496.56

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

2.127

Distribution Coefficient, logD

2.127

Water Solubility, LogSw

-3.15

Polar Surface Area

69.512

Acid Dissociation Constant (pKa)

22.49

Base Dissociation Constant (pKb)

-0.21

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

48.10

References: we are preparing a list of scientific research reports with E787-0916 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E787-0916?
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What is the minimum amount of E787-0916 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E787-0916
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E787-0916
  • 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 E787-0916 available by request