G279-1053 Screening compound: N-[(2H-1,3-benzodioxol-5-yl)methyl]-4-{3-methyl-5-oxo-1-phenyl-1H,4H,5H,6H-pyrazolo[3,4-b][1,4]thiazin-4-yl}butanamide

G279-1053 Screening compound: N-[(2H-1,3-benzodioxol-5-yl)methyl]-4-{3-methyl-5-oxo-1-phenyl-1H,4H,5H,6H-pyrazolo[3,4-b][1,4]thiazin-4-yl}butanamide
G279-1053 Screening compound: N-[(2H-1,3-benzodioxol-5-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 G279-1053
N-[(2H-1,3-benzodioxol-5-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

G279-1053

Molecular Formula

C24H24N4O4S (C24 H24 N4 O4 S)

Compound Name

N-[(2H-1,3-benzodioxol-5-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-[(2H-13-benzodioxol-5-yl)methyl]-4-{3-methyl-5-oxo-1-phenyl-1H4H5H6H-pyrazolo[34-b][14]thiazin-4-yl}butanamide

SMILES

Cc(c(N1CCCC(NCc(cc2)cc3c2OCO3)=O)c2SCC1=O)nn2-c1ccccc1

InChI

InChI=1S/C24H24N4O4S/c1-16-23-24(28(26-16)18-6-3-2-4-7-18)33-14-22(30)27(23)11-5-8-21(29)25-13-17-9-10-19-20(12-17)32-15-31-19/h2-4,6-7,9-10,12H,5,8,11,13-15H2,1H3,(H,25,29)

InChI Key

QUVJVXSRFQEGAI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14993387

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

464.55

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.360

Distribution Coefficient, logD

2.360

Water Solubility, LogSw

-2.80

Polar Surface Area

71.133

Acid Dissociation Constant (pKa)

14.52

Base Dissociation Constant (pKb)

0.04

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

29.20

G279-1053 in Drug Discovery

Included in Screening Libraries

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

Protein-Protein Interaction Library (218420 compounds)

Antibacterial Compounds Library (13827 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
Therapeutical areas:
  • Infections
  • Immune system
  • animal

References: we are preparing a list of scientific research reports with G279-1053 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G279-1053?
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What is the minimum amount of G279-1053 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G279-1053
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G279-1053
  • 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 G279-1053 available by request