G808-0891 Screening compound: 2-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)-N-[5-methyl-2-({2-methyl-7-oxo-7H-[1,2]oxazolo[2,3-a]pyrimidin-5-yl}methoxy)phenyl]acetamide

G808-0891 Screening compound: 2-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)-N-[5-methyl-2-({2-methyl-7-oxo-7H-[1,2]oxazolo[2,3-a]pyrimidin-5-yl}methoxy)phenyl]acetamide
G808-0891 Screening compound: 2-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)-N-[5-methyl-2-({2-methyl-7-oxo-7H-[1,2]oxazolo[2,3-a]pyrimidin-5-yl}methoxy)phenyl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G808-0891
2-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)-N-[5-methyl-2-({2-methyl-7-oxo-7H-[1,2]oxazolo[2,3-a]pyrimidin-5-yl}methoxy)phenyl]acetamide

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

G808-0891

Molecular Formula

C25H20N4O6 (C25 H20 N4 O6)

Compound Name

2-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)-N-[5-methyl-2-({2-methyl-7-oxo-7H-[1,2]oxazolo[2,3-a]pyrimidin-5-yl}methoxy)phenyl]acetamide

IUPAC name

2-(13-dioxo-23-dihydro-1H-isoindol-2-yl)-N-[5-methyl-2-({2-methyl-7-oxo-7H-[12]oxazolo[23-a]pyrimidin-5-yl}methoxy)phenyl]acetamide

SMILES

CC(ON12)=CC2=NC(COc(ccc(C)c2)c2NC(CN(C(c2c3cccc2)=O)C3=O)=O)=CC1=O

InChI

InChI=1S/C25H20N4O6/c1-14-7-8-20(34-13-16-11-23(31)29-21(26-16)10-15(2)35-29)19(9-14)27-22(30)12-28-24(32)17-5-3-4-6-18(17)25(28)33/h3-11H,12-13H2,1-2H3,(H,27,30)

InChI Key

NLLMJPABKTUPQT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27162513

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

472.46

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

1.667

Distribution Coefficient, logD

1.667

Water Solubility, LogSw

-2.76

Polar Surface Area

97.721

Acid Dissociation Constant (pKa)

11.78

Base Dissociation Constant (pKb)

3.59

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.00

G808-0891 in Drug Discovery

Included in Screening Libraries

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

PPI Inhibitors Tripeptide Mimetics (23972 compounds)

Aurora A-B Kinases Targeted Library (9426 compounds)

Peptidomimetic Library (37031 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics
  • Mimetics
Therapeutical areas:
  • Cancer
  • Digestive system
  • Male
  • Female
  • Hemic and lymphatic
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with G808-0891 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G808-0891?
Check Price and Availability of G808-0891, 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 G808-0891 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G808-0891
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G808-0891
  • 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 G808-0891 available by request