G279-1178 Screening compound: 4-{3-methyl-5-oxo-1-phenyl-1H,4H,5H,6H-pyrazolo[3,4-b][1,4]thiazin-4-yl}-N-{[4-(propan-2-yloxy)phenyl]methyl}butanamide

G279-1178 Screening compound: 4-{3-methyl-5-oxo-1-phenyl-1H,4H,5H,6H-pyrazolo[3,4-b][1,4]thiazin-4-yl}-N-{[4-(propan-2-yloxy)phenyl]methyl}butanamide
G279-1178 Screening compound: 4-{3-methyl-5-oxo-1-phenyl-1H,4H,5H,6H-pyrazolo[3,4-b][1,4]thiazin-4-yl}-N-{[4-(propan-2-yloxy)phenyl]methyl}butanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G279-1178
4-{3-methyl-5-oxo-1-phenyl-1H,4H,5H,6H-pyrazolo[3,4-b][1,4]thiazin-4-yl}-N-{[4-(propan-2-yloxy)phenyl]methyl}butanamide

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

G279-1178

Molecular Formula

C26H30N4O3S (C26 H30 N4 O3 S)

Compound Name

4-{3-methyl-5-oxo-1-phenyl-1H,4H,5H,6H-pyrazolo[3,4-b][1,4]thiazin-4-yl}-N-{[4-(propan-2-yloxy)phenyl]methyl}butanamide

IUPAC name

4-{3-methyl-5-oxo-1-phenyl-1H4H5H6H-pyrazolo[34-b][14]thiazin-4-yl}-N-{[4-(propan-2-yloxy)phenyl]methyl}butanamide

SMILES

CC(C)Oc1ccc(CNC(CCCN(c(c(C)nn2-c3ccccc3)c2SC2)C2=O)=O)cc1

InChI

InChI=1S/C26H30N4O3S/c1-18(2)33-22-13-11-20(12-14-22)16-27-23(31)10-7-15-29-24(32)17-34-26-25(29)19(3)28-30(26)21-8-5-4-6-9-21/h4-6,8-9,11-14,18H,7,10,15-17H2,1-3H3,(H,27,31)

InChI Key

YUAVUFIWTHBSTG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14993408

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

478.62

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.114

Distribution Coefficient, logD

3.114

Water Solubility, LogSw

-3.40

Polar Surface Area

60.820

Acid Dissociation Constant (pKa)

14.02

Base Dissociation Constant (pKb)

-1.41

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

34.60

G279-1178 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Antiviral Annotated Library (21441 compounds)

Protein-Protein Interaction Library (218420 compounds)

Selective Target Activity Profiling Library (14702 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Mechanism of action:
  • PPI modulators

References: we are preparing a list of scientific research reports with G279-1178 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G279-1178?
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What is the minimum amount of G279-1178 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G279-1178
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G279-1178
  • 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 G279-1178 available by request