E787-0281 Screening compound: 3-(1-oxo-2,3-dihydro-1H-isoindol-2-yl)-N-[(pyridin-3-yl)methyl]-3-(thiophen-2-yl)propanamide

E787-0281 Screening compound: 3-(1-oxo-2,3-dihydro-1H-isoindol-2-yl)-N-[(pyridin-3-yl)methyl]-3-(thiophen-2-yl)propanamide
E787-0281 Screening compound: 3-(1-oxo-2,3-dihydro-1H-isoindol-2-yl)-N-[(pyridin-3-yl)methyl]-3-(thiophen-2-yl)propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E787-0281
3-(1-oxo-2,3-dihydro-1H-isoindol-2-yl)-N-[(pyridin-3-yl)methyl]-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

E787-0281

Molecular Formula

C21H19N3O2S (C21 H19 N3 O2 S)

Compound Name

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

IUPAC name

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

SMILES

O=C(CC(c1cccs1)N(Cc1c2cccc1)C2=O)NCc1cnccc1

InChI

InChI=1S/C21H19N3O2S/c25-20(23-13-15-5-3-9-22-12-15)11-18(19-8-4-10-27-19)24-14-16-6-1-2-7-17(16)21(24)26/h1-10,12,18H,11,13-14H2,(H,23,25)/t18-/m0/s1

InChI Key

PIBPOTFXWIBNRG-SFHVURJKSA-N

MDL Number (MFCD)

MFCD14919375

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

377.47

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.140

Distribution Coefficient, logD

2.138

Water Solubility, LogSw

-2.71

Polar Surface Area

50.712

Acid Dissociation Constant (pKa)

13.26

Base Dissociation Constant (pKb)

5.15

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

19.00

E787-0281 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 E787-0281 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E787-0281?
Check Price and Availability of E787-0281, 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 E787-0281 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E787-0281
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E787-0281
  • 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 E787-0281 available by request