G390-0092 Screening compound: N-[(2H-1,3-benzodioxol-5-yl)methyl]-4-{3-methyl-1-phenyl-1H,4H,5H,6H-pyrazolo[3,4-b][1,4]thiazin-4-yl}-4-oxobutanamide

G390-0092 Screening compound: N-[(2H-1,3-benzodioxol-5-yl)methyl]-4-{3-methyl-1-phenyl-1H,4H,5H,6H-pyrazolo[3,4-b][1,4]thiazin-4-yl}-4-oxobutanamide
G390-0092 Screening compound: N-[(2H-1,3-benzodioxol-5-yl)methyl]-4-{3-methyl-1-phenyl-1H,4H,5H,6H-pyrazolo[3,4-b][1,4]thiazin-4-yl}-4-oxobutanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G390-0092
N-[(2H-1,3-benzodioxol-5-yl)methyl]-4-{3-methyl-1-phenyl-1H,4H,5H,6H-pyrazolo[3,4-b][1,4]thiazin-4-yl}-4-oxobutanamide

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

G390-0092

Molecular Formula

C24H24N4O4S (C24 H24 N4 O4 S)

Compound Name

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

IUPAC name

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

SMILES

Cc(c1c2SCCN1C(CCC(NCc(cc1)cc3c1OCO3)=O)=O)nn2-c1ccccc1

InChI

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

InChI Key

WAZOUQVNTSVFOL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15007165

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

2.532

Distribution Coefficient, logD

2.532

Water Solubility, LogSw

-2.93

Polar Surface Area

70.560

Acid Dissociation Constant (pKa)

14.45

Base Dissociation Constant (pKb)

-0.41

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

29.20

G390-0092 in Drug Discovery

Included in Screening Libraries

Angiogenesis library (14822 compounds)

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

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer

References: we are preparing a list of scientific research reports with G390-0092 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G390-0092?
Check Price and Availability of G390-0092, 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 G390-0092 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G390-0092
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G390-0092
  • 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 G390-0092 available by request