G390-0068 Screening compound: N-[2-(4-chlorophenyl)ethyl]-4-{3-methyl-1-phenyl-1H,4H,5H,6H-pyrazolo[3,4-b][1,4]thiazin-4-yl}-4-oxobutanamide

G390-0068 Screening compound: N-[2-(4-chlorophenyl)ethyl]-4-{3-methyl-1-phenyl-1H,4H,5H,6H-pyrazolo[3,4-b][1,4]thiazin-4-yl}-4-oxobutanamide
G390-0068 Screening compound: N-[2-(4-chlorophenyl)ethyl]-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 G390-0068
N-[2-(4-chlorophenyl)ethyl]-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

G390-0068

Molecular Formula

C24H25ClN4O2S (C24 H25 ClN4 O2 S)

Compound Name

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

IUPAC name

N-[2-(4-chlorophenyl)ethyl]-4-{3-methyl-1-phenyl-1H4H5H6H-pyrazolo[34-b][14]thiazin-4-yl}-4-oxobutanamide

SMILES

Cc(c1c2SCCN1C(CCC(NCCc(cc1)ccc1Cl)=O)=O)nn2-c1ccccc1

InChI

InChI=1S/C24H25ClN4O2S/c1-17-23-24(29(27-17)20-5-3-2-4-6-20)32-16-15-28(23)22(31)12-11-21(30)26-14-13-18-7-9-19(25)10-8-18/h2-10H,11-16H2,1H3,(H,26,30)

InChI Key

ZZOOPYZJYUVYNT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15007159

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

469.01

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.988

Distribution Coefficient, logD

2.988

Water Solubility, LogSw

-3.59

Polar Surface Area

53.286

Acid Dissociation Constant (pKa)

14.31

Base Dissociation Constant (pKb)

0.19

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

29.20

G390-0068 in Drug Discovery

Included in Screening Libraries

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

GPCR Targeted Library (31838 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with G390-0068 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G390-0068?
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What is the minimum amount of G390-0068 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G390-0068
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G390-0068
  • 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 G390-0068 available by request