G390-0030 Screening compound: 1-[4-(2-fluorophenyl)piperazin-1-yl]-4-{3-methyl-1-phenyl-1H,4H,5H,6H-pyrazolo[3,4-b][1,4]thiazin-4-yl}butane-1,4-dione

G390-0030 Screening compound: 1-[4-(2-fluorophenyl)piperazin-1-yl]-4-{3-methyl-1-phenyl-1H,4H,5H,6H-pyrazolo[3,4-b][1,4]thiazin-4-yl}butane-1,4-dione
G390-0030 Screening compound: 1-[4-(2-fluorophenyl)piperazin-1-yl]-4-{3-methyl-1-phenyl-1H,4H,5H,6H-pyrazolo[3,4-b][1,4]thiazin-4-yl}butane-1,4-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound G390-0030
1-[4-(2-fluorophenyl)piperazin-1-yl]-4-{3-methyl-1-phenyl-1H,4H,5H,6H-pyrazolo[3,4-b][1,4]thiazin-4-yl}butane-1,4-dione

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

G390-0030

Molecular Formula

C26H28FN5O2S (C26 H28 FN5 O2 S)

Compound Name

1-[4-(2-fluorophenyl)piperazin-1-yl]-4-{3-methyl-1-phenyl-1H,4H,5H,6H-pyrazolo[3,4-b][1,4]thiazin-4-yl}butane-1,4-dione

IUPAC name

1-[4-(2-fluorophenyl)piperazin-1-yl]-4-{3-methyl-1-phenyl-1H4H5H6H-pyrazolo[34-b][14]thiazin-4-yl}butane-14-dione

SMILES

Cc(c1c2SCCN1C(CCC(N(CC1)CCN1c(cccc1)c1F)=O)=O)nn2-c1ccccc1

InChI

InChI=1S/C26H28FN5O2S/c1-19-25-26(32(28-19)20-7-3-2-4-8-20)35-18-17-31(25)24(34)12-11-23(33)30-15-13-29(14-16-30)22-10-6-5-9-21(22)27/h2-10H,11-18H2,1H3

InChI Key

HHPYUDKHIANFOV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15007154

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

493.61

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.025

Distribution Coefficient, logD

3.025

Water Solubility, LogSw

-3.40

Polar Surface Area

48.325

Acid Dissociation Constant (pKa)

21.44

Base Dissociation Constant (pKb)

4.77

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

34.60

G390-0030 in Drug Discovery

Included in Screening Libraries

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

GPCR Targeted Library (31838 compounds)

New Agro Library (44492 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
Agro:
  • Agro

References: we are preparing a list of scientific research reports with G390-0030 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G390-0030?
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What is the minimum amount of G390-0030 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G390-0030
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G390-0030
  • 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 G390-0030 available by request