E787-0327 Screening compound: N-[(2H-1,3-benzodioxol-5-yl)methyl]-3-(1-oxo-2,3-dihydro-1H-isoindol-2-yl)-3-(thiophen-2-yl)propanamide

E787-0327 Screening compound: N-[(2H-1,3-benzodioxol-5-yl)methyl]-3-(1-oxo-2,3-dihydro-1H-isoindol-2-yl)-3-(thiophen-2-yl)propanamide
E787-0327 Screening compound: N-[(2H-1,3-benzodioxol-5-yl)methyl]-3-(1-oxo-2,3-dihydro-1H-isoindol-2-yl)-3-(thiophen-2-yl)propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E787-0327
N-[(2H-1,3-benzodioxol-5-yl)methyl]-3-(1-oxo-2,3-dihydro-1H-isoindol-2-yl)-3-(thiophen-2-yl)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

E787-0327

Molecular Formula

C23H20N2O4S (C23 H20 N2 O4 S)

Compound Name

N-[(2H-1,3-benzodioxol-5-yl)methyl]-3-(1-oxo-2,3-dihydro-1H-isoindol-2-yl)-3-(thiophen-2-yl)propanamide

IUPAC name

N-[(2H-13-benzodioxol-5-yl)methyl]-3-(1-oxo-23-dihydro-1H-isoindol-2-yl)-3-(thiophen-2-yl)propanamide

SMILES

O=C(CC(c1cccs1)N(Cc1c2cccc1)C2=O)NCc(cc1)cc2c1OCO2

InChI

InChI=1S/C23H20N2O4S/c26-22(24-12-15-7-8-19-20(10-15)29-14-28-19)11-18(21-6-3-9-30-21)25-13-16-4-1-2-5-17(16)23(25)27/h1-10,18H,11-14H2,(H,24,26)/t18-/m0/s1

InChI Key

FWCNUDLPIVDGMQ-SFHVURJKSA-N

MDL Number (MFCD)

MFCD14919412

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

420.49

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.281

Distribution Coefficient, logD

3.281

Water Solubility, LogSw

-3.54

Polar Surface Area

58.310

Acid Dissociation Constant (pKa)

13.98

Base Dissociation Constant (pKb)

-1.07

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

21.70

E787-0327 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 E787-0327 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E787-0327?
Check Price and Availability of E787-0327, 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 E787-0327 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E787-0327
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E787-0327
  • 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 E787-0327 available by request