E787-0880 Screening compound: 2-[3-oxo-3-(pyrrolidin-1-yl)-1-(3,4,5-trimethoxyphenyl)propyl]-2,3-dihydro-1H-isoindol-1-one

E787-0880 Screening compound: 2-[3-oxo-3-(pyrrolidin-1-yl)-1-(3,4,5-trimethoxyphenyl)propyl]-2,3-dihydro-1H-isoindol-1-one
E787-0880 Screening compound: 2-[3-oxo-3-(pyrrolidin-1-yl)-1-(3,4,5-trimethoxyphenyl)propyl]-2,3-dihydro-1H-isoindol-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound E787-0880
2-[3-oxo-3-(pyrrolidin-1-yl)-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

E787-0880

Molecular Formula

C24H28N2O5 (C24 H28 N2 O5)

Compound Name

2-[3-oxo-3-(pyrrolidin-1-yl)-1-(3,4,5-trimethoxyphenyl)propyl]-2,3-dihydro-1H-isoindol-1-one

IUPAC name

2-[3-oxo-3-(pyrrolidin-1-yl)-1-(345-trimethoxyphenyl)propyl]-23-dihydro-1H-isoindol-1-one

SMILES

COc1cc(C(CC(N2CCCC2)=O)N(Cc2c3cccc2)C3=O)cc(OC)c1OC

InChI

InChI=1S/C24H28N2O5/c1-29-20-12-17(13-21(30-2)23(20)31-3)19(14-22(27)25-10-6-7-11-25)26-15-16-8-4-5-9-18(16)24(26)28/h4-5,8-9,12-13,19H,6-7,10-11,14-15H2,1-3H3/t19-/m0/s1

InChI Key

PGLDXTCAPQSAMZ-IBGZPJMESA-N

MDL Number (MFCD)

MFCD14919678

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

424.5

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.845

Distribution Coefficient, logD

2.845

Water Solubility, LogSw

-3.34

Polar Surface Area

55.441

Acid Dissociation Constant (pKa)

22.49

Base Dissociation Constant (pKb)

-1.86

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

41.70

References: we are preparing a list of scientific research reports with E787-0880 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E787-0880?
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What is the minimum amount of E787-0880 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E787-0880
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E787-0880
  • 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 E787-0880 available by request