G279-1047 Screening compound: N-[(furan-2-yl)methyl]-4-{3-methyl-5-oxo-1-phenyl-1H,4H,5H,6H-pyrazolo[3,4-b][1,4]thiazin-4-yl}butanamide

G279-1047 Screening compound: N-[(furan-2-yl)methyl]-4-{3-methyl-5-oxo-1-phenyl-1H,4H,5H,6H-pyrazolo[3,4-b][1,4]thiazin-4-yl}butanamide
G279-1047 Screening compound: N-[(furan-2-yl)methyl]-4-{3-methyl-5-oxo-1-phenyl-1H,4H,5H,6H-pyrazolo[3,4-b][1,4]thiazin-4-yl}butanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G279-1047
N-[(furan-2-yl)methyl]-4-{3-methyl-5-oxo-1-phenyl-1H,4H,5H,6H-pyrazolo[3,4-b][1,4]thiazin-4-yl}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

G279-1047

Molecular Formula

C21H22N4O3S (C21 H22 N4 O3 S)

Compound Name

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

IUPAC name

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

SMILES

Cc(c(N1CCCC(NCc2ccco2)=O)c2SCC1=O)nn2-c1ccccc1

InChI

InChI=1S/C21H22N4O3S/c1-15-20-21(25(23-15)16-7-3-2-4-8-16)29-14-19(27)24(20)11-5-10-18(26)22-13-17-9-6-12-28-17/h2-4,6-9,12H,5,10-11,13-14H2,1H3,(H,22,26)

InChI Key

SHSFBRCQTIJRQQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14993385

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

410.5

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.198

Distribution Coefficient, logD

2.198

Water Solubility, LogSw

-2.47

Polar Surface Area

61.767

Acid Dissociation Constant (pKa)

12.83

Base Dissociation Constant (pKb)

-1.29

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

28.60

G279-1047 in Drug Discovery

Included in Screening Libraries

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

KRAS-Targeted Library (16000 compounds)

Protein-Protein Interaction Library (218420 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
Targets:
  • Kinases
Mechanism of action:
  • PPI modulators

References: we are preparing a list of scientific research reports with G279-1047 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G279-1047?
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What is the minimum amount of G279-1047 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G279-1047
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G279-1047
  • 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 G279-1047 available by request