4341-3359 Screening compound: (2Z)-2-{[3-(4-butoxy-3-methylphenyl)-1-phenyl-1H-pyrazol-4-yl]methylidene}-6-methyl-2H,3H,7H-[1,3]thiazolo[3,2-b][1,2,4]triazine-3,7-dione

4341-3359 Screening compound: (2Z)-2-{[3-(4-butoxy-3-methylphenyl)-1-phenyl-1H-pyrazol-4-yl]methylidene}-6-methyl-2H,3H,7H-[1,3]thiazolo[3,2-b][1,2,4]triazine-3,7-dione
4341-3359 Screening compound: (2Z)-2-{[3-(4-butoxy-3-methylphenyl)-1-phenyl-1H-pyrazol-4-yl]methylidene}-6-methyl-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 4341-3359
(2Z)-2-{[3-(4-butoxy-3-methylphenyl)-1-phenyl-1H-pyrazol-4-yl]methylidene}-6-methyl-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

4341-3359

Molecular Formula

C27H25N5O3S (C27 H25 N5 O3 S)

Compound Name

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

IUPAC name

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

SMILES

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

InChI

InChI=1S/C27H25N5O3S/c1-4-5-13-35-22-12-11-19(14-17(22)2)24-20(16-31(30-24)21-9-7-6-8-10-21)15-23-26(34)32-27(36-23)28-25(33)18(3)29-32/h6-12,14-16H,4-5,13H2,1-3H3

InChI Key

OEVHCSGCGVFAJJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02993818

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

499.59

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

5.380

Distribution Coefficient, logD

5.380

Water Solubility, LogSw

-5.38

Polar Surface Area

72.230

Acid Dissociation Constant (pKa)

27.52

Base Dissociation Constant (pKb)

-0.10

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

22.20

References: we are preparing a list of scientific research reports with 4341-3359 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4341-3359?
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What is the minimum amount of 4341-3359 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4341-3359
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4341-3359
  • 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 4341-3359 available by request