5629-2006 Screening compound: (2Z)-2-{[3-(4-methoxyphenyl)-1-phenyl-1H-pyrazol-4-yl]methylidene}-6-phenyl-2H,3H,7H-[1,3]thiazolo[3,2-b][1,2,4]triazine-3,7-dione

5629-2006 Screening compound: (2Z)-2-{[3-(4-methoxyphenyl)-1-phenyl-1H-pyrazol-4-yl]methylidene}-6-phenyl-2H,3H,7H-[1,3]thiazolo[3,2-b][1,2,4]triazine-3,7-dione
5629-2006 Screening compound: (2Z)-2-{[3-(4-methoxyphenyl)-1-phenyl-1H-pyrazol-4-yl]methylidene}-6-phenyl-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 5629-2006
(2Z)-2-{[3-(4-methoxyphenyl)-1-phenyl-1H-pyrazol-4-yl]methylidene}-6-phenyl-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

5629-2006

Molecular Formula

C28H19N5O3S (C28 H19 N5 O3 S)

Compound Name

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

IUPAC name

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

SMILES

COc(cc1)ccc1-c(c(/C=C(/C(N1N=C2c3ccccc3)=O)\SC1=NC2=O)c1)nn1-c1ccccc1

InChI

InChI=1S/C28H19N5O3S/c1-36-22-14-12-19(13-15-22)24-20(17-32(30-24)21-10-6-3-7-11-21)16-23-27(35)33-28(37-23)29-26(34)25(31-33)18-8-4-2-5-9-18/h2-17H,1H3

InChI Key

NZOOFGNPFNXGGT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03534389

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

505.56

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.558

Distribution Coefficient, logD

4.558

Water Solubility, LogSw

-4.44

Polar Surface Area

72.825

Acid Dissociation Constant (pKa)

33.29

Base Dissociation Constant (pKb)

2.41

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

3.60

References: we are preparing a list of scientific research reports with 5629-2006 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5629-2006?
Check Price and Availability of 5629-2006, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of 5629-2006 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5629-2006
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5629-2006
  • 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 5629-2006 available by request