5606-2992 Screening compound: (2Z)-6-methyl-2-({3-[4-(2-methylpropoxy)phenyl]-1-phenyl-1H-pyrazol-4-yl}methylidene)-2H,3H,7H-[1,3]thiazolo[3,2-b][1,2,4]triazine-3,7-dione

5606-2992 Screening compound: (2Z)-6-methyl-2-({3-[4-(2-methylpropoxy)phenyl]-1-phenyl-1H-pyrazol-4-yl}methylidene)-2H,3H,7H-[1,3]thiazolo[3,2-b][1,2,4]triazine-3,7-dione
5606-2992 Screening compound: (2Z)-6-methyl-2-({3-[4-(2-methylpropoxy)phenyl]-1-phenyl-1H-pyrazol-4-yl}methylidene)-2H,3H,7H-[1,3]thiazolo[3,2-b][1,2,4]triazine-3,7-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound 5606-2992
(2Z)-6-methyl-2-({3-[4-(2-methylpropoxy)phenyl]-1-phenyl-1H-pyrazol-4-yl}methylidene)-2H,3H,7H-[1,3]thiazolo[3,2-b][1,2,4]triazine-3,7-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

5606-2992

Molecular Formula

C26H23N5O3S (C26 H23 N5 O3 S)

Compound Name

(2Z)-6-methyl-2-({3-[4-(2-methylpropoxy)phenyl]-1-phenyl-1H-pyrazol-4-yl}methylidene)-2H,3H,7H-[1,3]thiazolo[3,2-b][1,2,4]triazine-3,7-dione

IUPAC name

(2Z)-6-methyl-2-({3-[4-(2-methylpropoxy)phenyl]-1-phenyl-1H-pyrazol-4-yl}methylidene)-2H3H7H-[13]thiazolo[32-b][124]triazine-37-dione

SMILES

CC(C)COc(cc1)ccc1-c(c(/C=C(/C(N1N=C2C)=O)\SC1=NC2=O)c1)nn1-c1ccccc1

InChI

InChI=1S/C26H23N5O3S/c1-16(2)15-34-21-11-9-18(10-12-21)23-19(14-30(29-23)20-7-5-4-6-8-20)13-22-25(33)31-26(35-22)27-24(32)17(3)28-31/h4-14,16H,15H2,1-3H3

InChI Key

LCOXNOFKIZHSID-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03213461

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

485.57

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.568

Distribution Coefficient, logD

4.568

Water Solubility, LogSw

-4.32

Polar Surface Area

72.225

Acid Dissociation Constant (pKa)

25.13

Base Dissociation Constant (pKb)

-0.10

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

19.20

References: we are preparing a list of scientific research reports with 5606-2992 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5606-2992?
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What is the minimum amount of 5606-2992 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5606-2992
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5606-2992
  • 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 5606-2992 available by request