4341-3370 Screening compound: (2Z)-2-{[4-(benzyloxy)-3-methoxyphenyl]methylidene}-6-phenyl-2H,3H,7H-[1,3]thiazolo[3,2-b][1,2,4]triazine-3,7-dione

4341-3370 Screening compound: (2Z)-2-{[4-(benzyloxy)-3-methoxyphenyl]methylidene}-6-phenyl-2H,3H,7H-[1,3]thiazolo[3,2-b][1,2,4]triazine-3,7-dione
4341-3370 Screening compound: (2Z)-2-{[4-(benzyloxy)-3-methoxyphenyl]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 4341-3370
(2Z)-2-{[4-(benzyloxy)-3-methoxyphenyl]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

4341-3370

Molecular Formula

C26H19N3O4S (C26 H19 N3 O4 S)

Compound Name

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

IUPAC name

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

SMILES

COc(cc(/C=C(/C(N1N=C2c3ccccc3)=O)\SC1=NC2=O)cc1)c1OCc1ccccc1

InChI

InChI=1S/C26H19N3O4S/c1-32-21-14-18(12-13-20(21)33-16-17-8-4-2-5-9-17)15-22-25(31)29-26(34-22)27-24(30)23(28-29)19-10-6-3-7-11-19/h2-15H,16H2,1H3

InChI Key

VGPMULUAXNINML-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02987185

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

469.52

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.119

Distribution Coefficient, logD

4.119

Water Solubility, LogSw

-4.56

Polar Surface Area

65.593

Acid Dissociation Constant (pKa)

29.40

Base Dissociation Constant (pKb)

2.41

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

7.70

4341-3370 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 4341-3370 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4341-3370?
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What is the minimum amount of 4341-3370 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4341-3370
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4341-3370
  • 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 4341-3370 available by request