G390-0118 Screening compound: 4-[3-methyl-1-phenyl-5,6-dihydropyrazolo[3,4-b][1,4]thiazin-4(1H)-yl]-4-oxo-N~1~-(tetrahydro-2-furanylmethyl)butanamide

G390-0118 Screening compound: 4-[3-methyl-1-phenyl-5,6-dihydropyrazolo[3,4-b][1,4]thiazin-4(1H)-yl]-4-oxo-N~1~-(tetrahydro-2-furanylmethyl)butanamide
G390-0118 Screening compound: 4-[3-methyl-1-phenyl-5,6-dihydropyrazolo[3,4-b][1,4]thiazin-4(1H)-yl]-4-oxo-N~1~-(tetrahydro-2-furanylmethyl)butanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G390-0118
4-[3-methyl-1-phenyl-5,6-dihydropyrazolo[3,4-b][1,4]thiazin-4(1H)-yl]-4-oxo-N~1~-(tetrahydro-2-furanylmethyl)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

G390-0118

Molecular Formula

C21H26N4O3S (C21 H26 N4 O3 S)

Compound Name

4-[3-methyl-1-phenyl-5,6-dihydropyrazolo[3,4-b][1,4]thiazin-4(1H)-yl]-4-oxo-N~1~-(tetrahydro-2-furanylmethyl)butanamide

IUPAC name

n/a

SMILES

Cc(c1c2SCCN1C(CCC(NCC1OCCC1)=O)=O)nn2-c1ccccc1

InChI

InChI=1S/C21H26N4O3S/c1-15-20-21(25(23-15)16-6-3-2-4-7-16)29-13-11-24(20)19(27)10-9-18(26)22-14-17-8-5-12-28-17/h2-4,6-7,17H,5,8-14H2,1H3,(H,22,26)/t17-/m1/s1

InChI Key

USCPNTXAMRKKMG-QGZVFWFLSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

414.53

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.074

Distribution Coefficient, logD

1.074

Water Solubility, LogSw

-2.10

Polar Surface Area

62.099

Acid Dissociation Constant (pKa)

14.13

Base Dissociation Constant (pKb)

4.49

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

47.62

G390-0118 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 G390-0118 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G390-0118?
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What is the minimum amount of G390-0118 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G390-0118
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G390-0118
  • 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 G390-0118 available by request