G279-1031 Screening compound: N-cycloheptyl-4-{3-methyl-5-oxo-1-phenyl-1H,4H,5H,6H-pyrazolo[3,4-b][1,4]thiazin-4-yl}butanamide

G279-1031 Screening compound: N-cycloheptyl-4-{3-methyl-5-oxo-1-phenyl-1H,4H,5H,6H-pyrazolo[3,4-b][1,4]thiazin-4-yl}butanamide
G279-1031 Screening compound: N-cycloheptyl-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 G279-1031
N-cycloheptyl-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

G279-1031

Molecular Formula

C23H30N4O2S (C23 H30 N4 O2 S)

Compound Name

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

IUPAC name

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

SMILES

Cc(c(N1CCCC(NC2CCCCCC2)=O)c2SCC1=O)nn2-c1ccccc1

InChI

InChI=1S/C23H30N4O2S/c1-17-22-23(27(25-17)19-12-7-4-8-13-19)30-16-21(29)26(22)15-9-14-20(28)24-18-10-5-2-3-6-11-18/h4,7-8,12-13,18H,2-3,5-6,9-11,14-16H2,1H3,(H,24,28)

InChI Key

YOXYCGNJZSHDSU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14993382

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

426.58

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.287

Distribution Coefficient, logD

3.287

Water Solubility, LogSw

-3.58

Polar Surface Area

54.074

Acid Dissociation Constant (pKa)

14.82

Base Dissociation Constant (pKb)

5.72

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

52.20

G279-1031 in Drug Discovery

Included in Screening Libraries

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

Protein-Protein Interaction Library (218420 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators

References: we are preparing a list of scientific research reports with G279-1031 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G279-1031?
Check Price and Availability of G279-1031, 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 G279-1031 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G279-1031
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G279-1031
  • 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 G279-1031 available by request