E787-0693 Screening compound: N-(5-chloropyridin-2-yl)-3-(4-ethoxy-3-methoxyphenyl)-3-(1-oxo-2,3-dihydro-1H-isoindol-2-yl)propanamide

E787-0693 Screening compound: N-(5-chloropyridin-2-yl)-3-(4-ethoxy-3-methoxyphenyl)-3-(1-oxo-2,3-dihydro-1H-isoindol-2-yl)propanamide
E787-0693 Screening compound: N-(5-chloropyridin-2-yl)-3-(4-ethoxy-3-methoxyphenyl)-3-(1-oxo-2,3-dihydro-1H-isoindol-2-yl)propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E787-0693
N-(5-chloropyridin-2-yl)-3-(4-ethoxy-3-methoxyphenyl)-3-(1-oxo-2,3-dihydro-1H-isoindol-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

E787-0693

Molecular Formula

C25H24ClN3O4 (C25 H24 ClN3 O4)

Compound Name

N-(5-chloropyridin-2-yl)-3-(4-ethoxy-3-methoxyphenyl)-3-(1-oxo-2,3-dihydro-1H-isoindol-2-yl)propanamide

IUPAC name

N-(5-chloropyridin-2-yl)-3-(4-ethoxy-3-methoxyphenyl)-3-(1-oxo-23-dihydro-1H-isoindol-2-yl)propanamide

SMILES

CCOc(ccc(C(CC(Nc(cc1)ncc1Cl)=O)N(Cc1c2cccc1)C2=O)c1)c1OC

InChI

InChI=1S/C25H24ClN3O4/c1-3-33-21-10-8-16(12-22(21)32-2)20(13-24(30)28-23-11-9-18(26)14-27-23)29-15-17-6-4-5-7-19(17)25(29)31/h4-12,14,20H,3,13,15H2,1-2H3,(H,27,28,30)/t20-/m0/s1

InChI Key

WHXCISUOAJEDNH-FQEVSTJZSA-N

MDL Number (MFCD)

MFCD14919573

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

465.94

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.415

Distribution Coefficient, logD

4.343

Water Solubility, LogSw

-4.73

Polar Surface Area

63.399

Acid Dissociation Constant (pKa)

8.14

Base Dissociation Constant (pKb)

1.40

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

24.00

E787-0693 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

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

Protein Kinases Inhibitors Library (36801 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Nervous system
  • Hemic and lymphatic
  • Cardiovascular
Targets:
  • Kinases
Agro:
  • Agro

References: we are preparing a list of scientific research reports with E787-0693 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E787-0693?
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What is the minimum amount of E787-0693 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E787-0693
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E787-0693
  • 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 E787-0693 available by request