G390-0086 Screening compound: N~1~-(2-furylmethyl)-4-[3-methyl-1-phenyl-5,6-dihydropyrazolo[3,4-b][1,4]thiazin-4(1H)-yl]-4-oxobutanamide

G390-0086 Screening compound: N~1~-(2-furylmethyl)-4-[3-methyl-1-phenyl-5,6-dihydropyrazolo[3,4-b][1,4]thiazin-4(1H)-yl]-4-oxobutanamide
G390-0086 Screening compound: N~1~-(2-furylmethyl)-4-[3-methyl-1-phenyl-5,6-dihydropyrazolo[3,4-b][1,4]thiazin-4(1H)-yl]-4-oxobutanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G390-0086
N~1~-(2-furylmethyl)-4-[3-methyl-1-phenyl-5,6-dihydropyrazolo[3,4-b][1,4]thiazin-4(1H)-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

G390-0086

Molecular Formula

C21H22N4O3S (C21 H22 N4 O3 S)

Compound Name

N~1~-(2-furylmethyl)-4-[3-methyl-1-phenyl-5,6-dihydropyrazolo[3,4-b][1,4]thiazin-4(1H)-yl]-4-oxobutanamide

IUPAC name

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

SMILES

Cc(c1c2SCCN1C(CCC(NCc1ccco1)=O)=O)nn2-c1ccccc1

InChI

InChI=1S/C21H22N4O3S/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/h2-8,12H,9-11,13-14H2,1H3,(H,22,26)

InChI Key

ZGHZPXCFFCAJHQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15007163

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

410.5

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

2.369

Distribution Coefficient, logD

2.369

Water Solubility, LogSw

-2.63

Polar Surface Area

61.193

Acid Dissociation Constant (pKa)

12.76

Base Dissociation Constant (pKb)

-1.73

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

28.57

References: we are preparing a list of scientific research reports with G390-0086 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G390-0086?
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What is the minimum amount of G390-0086 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G390-0086
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G390-0086
  • 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 G390-0086 available by request