G893-0135 Screening compound: 2-(4-ethoxyphenyl)-N-(3-methylbutyl)-3-oxo-2,3-dihydro-1H-isoindole-1-carboxamide

G893-0135 Screening compound: 2-(4-ethoxyphenyl)-N-(3-methylbutyl)-3-oxo-2,3-dihydro-1H-isoindole-1-carboxamide
G893-0135 Screening compound: 2-(4-ethoxyphenyl)-N-(3-methylbutyl)-3-oxo-2,3-dihydro-1H-isoindole-1-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G893-0135
2-(4-ethoxyphenyl)-N-(3-methylbutyl)-3-oxo-2,3-dihydro-1H-isoindole-1-carboxamide

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

G893-0135

Molecular Formula

C22H26N2O3 (C22 H26 N2 O3)

Compound Name

2-(4-ethoxyphenyl)-N-(3-methylbutyl)-3-oxo-2,3-dihydro-1H-isoindole-1-carboxamide

IUPAC name

2-(4-ethoxyphenyl)-N-(3-methylbutyl)-3-oxo-23-dihydro-1H-isoindole-1-carboxamide

SMILES

CCOc(cc1)ccc1N(C(C(NCCC(C)C)=O)c1c2cccc1)C2=O

InChI

InChI=1S/C22H26N2O3/c1-4-27-17-11-9-16(10-12-17)24-20(21(25)23-14-13-15(2)3)18-7-5-6-8-19(18)22(24)26/h5-12,15,20H,4,13-14H2,1-3H3,(H,23,25)/t20-/m0/s1

InChI Key

QKFMLRCQIDICIU-FQEVSTJZSA-N

MDL Number (MFCD)

MFCD27642841

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

366.46

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.801

Distribution Coefficient, logD

3.801

Water Solubility, LogSw

-3.92

Polar Surface Area

47.327

Acid Dissociation Constant (pKa)

13.14

Base Dissociation Constant (pKb)

-0.28

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

36.40

G893-0135 in Drug Discovery

Included in Screening Libraries

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

Cyclic Ugi PPI Library (9586 compounds)

Protein Kinases Inhibitors Library (36801 compounds)

Targeted Diversity Library (40567 compounds)

MDM2-p53 interaction inhibitors Library (21687 compounds)

Neuropeptide S Library (2850 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • PPI modulators
  • Receptor's ligands
Structure:
  • Cyclic compounds
Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Nervous system
  • Hemic and lymphatic
  • Cardiovascular
  • Cancer
  • Digestive system
  • Nervous system
Targets:
  • Kinases
  • GPCR

References: we are preparing a list of scientific research reports with G893-0135 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G893-0135?
Check Price and Availability of G893-0135, 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 G893-0135 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G893-0135
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G893-0135
  • 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 G893-0135 available by request