G893-0197 Screening compound: 2-[(4-butoxyphenyl)methyl]-N-(3-methylbutyl)-3-oxo-2,3-dihydro-1H-isoindole-1-carboxamide

G893-0197 Screening compound: 2-[(4-butoxyphenyl)methyl]-N-(3-methylbutyl)-3-oxo-2,3-dihydro-1H-isoindole-1-carboxamide
G893-0197 Screening compound: 2-[(4-butoxyphenyl)methyl]-N-(3-methylbutyl)-3-oxo-2,3-dihydro-1H-isoindole-1-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G893-0197
2-[(4-butoxyphenyl)methyl]-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

G893-0197

Molecular Formula

C25H32N2O3 (C25 H32 N2 O3)

Compound Name

2-[(4-butoxyphenyl)methyl]-N-(3-methylbutyl)-3-oxo-2,3-dihydro-1H-isoindole-1-carboxamide

IUPAC name

2-[(4-butoxyphenyl)methyl]-N-(3-methylbutyl)-3-oxo-23-dihydro-1H-isoindole-1-carboxamide

SMILES

CCCCOc1ccc(CN(C(C(NCCC(C)C)=O)c2c3cccc2)C3=O)cc1

InChI

InChI=1S/C25H32N2O3/c1-4-5-16-30-20-12-10-19(11-13-20)17-27-23(24(28)26-15-14-18(2)3)21-8-6-7-9-22(21)25(27)29/h6-13,18,23H,4-5,14-17H2,1-3H3,(H,26,28)/t23-/m0/s1

InChI Key

XETIGZGWHQGJLE-QHCPKHFHSA-N

MDL Number (MFCD)

MFCD27167127

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

408.54

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.907

Distribution Coefficient, logD

4.907

Water Solubility, LogSw

-4.43

Polar Surface Area

48.233

Acid Dissociation Constant (pKa)

13.65

Base Dissociation Constant (pKb)

0.25

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

44.00

G893-0197 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)

MDM2-p53 interaction inhibitors Library (21687 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with G893-0197 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G893-0197?
Check Price and Availability of G893-0197, 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 G893-0197 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G893-0197
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G893-0197
  • 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 G893-0197 available by request