E787-0659 Screening compound: 2-[1-(3,4-dimethoxyphenyl)-3-[4-(2-fluorophenyl)piperazin-1-yl]-3-oxopropyl]-2,3-dihydro-1H-isoindol-1-one

E787-0659 Screening compound: 2-[1-(3,4-dimethoxyphenyl)-3-[4-(2-fluorophenyl)piperazin-1-yl]-3-oxopropyl]-2,3-dihydro-1H-isoindol-1-one
E787-0659 Screening compound: 2-[1-(3,4-dimethoxyphenyl)-3-[4-(2-fluorophenyl)piperazin-1-yl]-3-oxopropyl]-2,3-dihydro-1H-isoindol-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound E787-0659
2-[1-(3,4-dimethoxyphenyl)-3-[4-(2-fluorophenyl)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

E787-0659

Molecular Formula

C29H30FN3O4 (C29 H30 FN3 O4)

Compound Name

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

IUPAC name

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

SMILES

COc(ccc(C(CC(N(CC1)CCN1c(cccc1)c1F)=O)N(Cc1c2cccc1)C2=O)c1)c1OC

InChI

InChI=1S/C29H30FN3O4/c1-36-26-12-11-20(17-27(26)37-2)25(33-19-21-7-3-4-8-22(21)29(33)35)18-28(34)32-15-13-31(14-16-32)24-10-6-5-9-23(24)30/h3-12,17,25H,13-16,18-19H2,1-2H3/t25-/m0/s1

InChI Key

RXTYXLMLNGOAJB-VWLOTQADSA-N

MDL Number (MFCD)

MFCD14919556

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

503.57

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.789

Distribution Coefficient, logD

3.789

Water Solubility, LogSw

-4.00

Polar Surface Area

50.317

Acid Dissociation Constant (pKa)

22.49

Base Dissociation Constant (pKb)

4.77

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

31.00

E787-0659 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer

References: we are preparing a list of scientific research reports with E787-0659 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E787-0659?
Check Price and Availability of E787-0659, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of E787-0659 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E787-0659
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E787-0659
  • 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 E787-0659 available by request