E787-0657 Screening compound: 2-[1-(3,4-dimethoxyphenyl)-3-[4-(4-methoxyphenyl)piperazin-1-yl]-3-oxopropyl]-2,3-dihydro-1H-isoindol-1-one

E787-0657 Screening compound: 2-[1-(3,4-dimethoxyphenyl)-3-[4-(4-methoxyphenyl)piperazin-1-yl]-3-oxopropyl]-2,3-dihydro-1H-isoindol-1-one
E787-0657 Screening compound: 2-[1-(3,4-dimethoxyphenyl)-3-[4-(4-methoxyphenyl)piperazin-1-yl]-3-oxopropyl]-2,3-dihydro-1H-isoindol-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound E787-0657
2-[1-(3,4-dimethoxyphenyl)-3-[4-(4-methoxyphenyl)piperazin-1-yl]-3-oxopropyl]-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

E787-0657

Molecular Formula

C30H33N3O5 (C30 H33 N3 O5)

Compound Name

2-[1-(3,4-dimethoxyphenyl)-3-[4-(4-methoxyphenyl)piperazin-1-yl]-3-oxopropyl]-2,3-dihydro-1H-isoindol-1-one

IUPAC name

2-[1-(34-dimethoxyphenyl)-3-[4-(4-methoxyphenyl)piperazin-1-yl]-3-oxopropyl]-23-dihydro-1H-isoindol-1-one

SMILES

COc(cc1)ccc1N(CC1)CCN1C(CC(c(cc1)cc(OC)c1OC)N(Cc1c2cccc1)C2=O)=O

InChI

InChI=1S/C30H33N3O5/c1-36-24-11-9-23(10-12-24)31-14-16-32(17-15-31)29(34)19-26(21-8-13-27(37-2)28(18-21)38-3)33-20-22-6-4-5-7-25(22)30(33)35/h4-13,18,26H,14-17,19-20H2,1-3H3/t26-/m0/s1

InChI Key

IPMFCMCAKAYWIU-SANMLTNESA-N

MDL Number (MFCD)

MFCD14919554

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

515.61

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.715

Distribution Coefficient, logD

3.714

Water Solubility, LogSw

-3.98

Polar Surface Area

58.162

Acid Dissociation Constant (pKa)

22.49

Base Dissociation Constant (pKb)

7.53

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

33.30

References: we are preparing a list of scientific research reports with E787-0657 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E787-0657?
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What is the minimum amount of E787-0657 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E787-0657
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E787-0657
  • 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 E787-0657 available by request