G279-0057 Screening compound: 2-{3-methyl-5-oxo-1-phenyl-1H,4H,5H,6H-pyrazolo[3,4-b][1,4]thiazin-4-yl}-N-[(4-methylphenyl)methyl]acetamide

G279-0057 Screening compound: 2-{3-methyl-5-oxo-1-phenyl-1H,4H,5H,6H-pyrazolo[3,4-b][1,4]thiazin-4-yl}-N-[(4-methylphenyl)methyl]acetamide
G279-0057 Screening compound: 2-{3-methyl-5-oxo-1-phenyl-1H,4H,5H,6H-pyrazolo[3,4-b][1,4]thiazin-4-yl}-N-[(4-methylphenyl)methyl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G279-0057
2-{3-methyl-5-oxo-1-phenyl-1H,4H,5H,6H-pyrazolo[3,4-b][1,4]thiazin-4-yl}-N-[(4-methylphenyl)methyl]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

G279-0057

Molecular Formula

C22H22N4O2S (C22 H22 N4 O2 S)

Compound Name

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

IUPAC name

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

SMILES

Cc(c(N1CC(NCc2ccc(C)cc2)=O)c2SCC1=O)nn2-c1ccccc1

InChI

InChI=1S/C22H22N4O2S/c1-15-8-10-17(11-9-15)12-23-19(27)13-25-20(28)14-29-22-21(25)16(2)24-26(22)18-6-4-3-5-7-18/h3-11H,12-14H2,1-2H3,(H,23,27)

InChI Key

KNOBDLVSQOKGMK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14993304

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

406.51

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.912

Distribution Coefficient, logD

2.912

Water Solubility, LogSw

-3.22

Polar Surface Area

54.039

Acid Dissociation Constant (pKa)

12.94

Base Dissociation Constant (pKb)

-1.72

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

22.70

G279-0057 in Drug Discovery

Included in Screening Libraries

Angiogenesis library (14822 compounds)

Macl-GPIb alpha Interaction Library (22969 compounds)

Protein-Protein Interaction Library (218420 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Hemic and lymphatic
  • Cardiovascular
Mechanism of action:
  • PPI modulators

References: we are preparing a list of scientific research reports with G279-0057 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G279-0057?
Check Price and Availability of G279-0057, 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 G279-0057 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G279-0057
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G279-0057
  • 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 G279-0057 available by request