E787-0914 Screening compound: N-[(4-fluorophenyl)methyl]-3-(1-oxo-2,3-dihydro-1H-isoindol-2-yl)-3-(3,4,5-trimethoxyphenyl)propanamide

E787-0914 Screening compound: N-[(4-fluorophenyl)methyl]-3-(1-oxo-2,3-dihydro-1H-isoindol-2-yl)-3-(3,4,5-trimethoxyphenyl)propanamide
E787-0914 Screening compound: N-[(4-fluorophenyl)methyl]-3-(1-oxo-2,3-dihydro-1H-isoindol-2-yl)-3-(3,4,5-trimethoxyphenyl)propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E787-0914
N-[(4-fluorophenyl)methyl]-3-(1-oxo-2,3-dihydro-1H-isoindol-2-yl)-3-(3,4,5-trimethoxyphenyl)propanamide

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

E787-0914

Molecular Formula

C27H27FN2O5 (C27 H27 FN2 O5)

Compound Name

N-[(4-fluorophenyl)methyl]-3-(1-oxo-2,3-dihydro-1H-isoindol-2-yl)-3-(3,4,5-trimethoxyphenyl)propanamide

IUPAC name

N-[(4-fluorophenyl)methyl]-3-(1-oxo-23-dihydro-1H-isoindol-2-yl)-3-(345-trimethoxyphenyl)propanamide

SMILES

COc1cc(C(CC(NCc(cc2)ccc2F)=O)N(Cc2c3cccc2)C3=O)cc(OC)c1OC

InChI

InChI=1S/C27H27FN2O5/c1-33-23-12-19(13-24(34-2)26(23)35-3)22(30-16-18-6-4-5-7-21(18)27(30)32)14-25(31)29-15-17-8-10-20(28)11-9-17/h4-13,22H,14-16H2,1-3H3,(H,29,31)/t22-/m0/s1

InChI Key

RACZNVKESWLBHY-QFIPXVFZSA-N

MDL Number (MFCD)

MFCD14919703

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

478.52

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.503

Distribution Coefficient, logD

3.503

Water Solubility, LogSw

-3.74

Polar Surface Area

63.154

Acid Dissociation Constant (pKa)

11.91

Base Dissociation Constant (pKb)

-2.64

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

25.90

E787-0914 in Drug Discovery

Included in Screening Libraries

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with E787-0914 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E787-0914?
Check Price and Availability of E787-0914, 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 E787-0914 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E787-0914
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E787-0914
  • 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 E787-0914 available by request