G390-0234 Screening compound: N-(2,5-dimethoxybenzyl)-4-[3-methyl-1-phenyl-5,6-dihydropyrazolo[3,4-b][1,4]thiazin-4(1H)-yl]-4-oxobutanamide

G390-0234 Screening compound: N-(2,5-dimethoxybenzyl)-4-[3-methyl-1-phenyl-5,6-dihydropyrazolo[3,4-b][1,4]thiazin-4(1H)-yl]-4-oxobutanamide
G390-0234 Screening compound: N-(2,5-dimethoxybenzyl)-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 G390-0234
N-(2,5-dimethoxybenzyl)-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

G390-0234

Molecular Formula

C25H28N4O4S (C25 H28 N4 O4 S)

Compound Name

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

IUPAC name

N-[(25-dimethoxyphenyl)methyl]-4-{3-methyl-1-phenyl-1H4H5H6H-pyrazolo[34-b][14]thiazin-4-yl}-4-oxobutanamide

SMILES

Cc(c1c2SCCN1C(CCC(NCc(cc(cc1)OC)c1OC)=O)=O)nn2-c1ccccc1

InChI

InChI=1S/C25H28N4O4S/c1-17-24-25(29(27-17)19-7-5-4-6-8-19)34-14-13-28(24)23(31)12-11-22(30)26-16-18-15-20(32-2)9-10-21(18)33-3/h4-10,15H,11-14,16H2,1-3H3,(H,26,30)

InChI Key

ZYRYMLIQJATNSZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15007178

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

480.59

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.819

Distribution Coefficient, logD

2.819

Water Solubility, LogSw

-3.49

Polar Surface Area

68.619

Acid Dissociation Constant (pKa)

13.44

Base Dissociation Constant (pKb)

-0.13

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

32.00

G390-0234 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with G390-0234 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G390-0234?
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What is the minimum amount of G390-0234 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G390-0234
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G390-0234
  • 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 G390-0234 available by request