5629-1084 Screening compound: (2Z)-6-benzyl-2-[(3-methoxyphenyl)methylidene]-2H,3H,7H-[1,3]thiazolo[3,2-b][1,2,4]triazine-3,7-dione

5629-1084 Screening compound: (2Z)-6-benzyl-2-[(3-methoxyphenyl)methylidene]-2H,3H,7H-[1,3]thiazolo[3,2-b][1,2,4]triazine-3,7-dione
5629-1084 Screening compound: (2Z)-6-benzyl-2-[(3-methoxyphenyl)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 5629-1084
(2Z)-6-benzyl-2-[(3-methoxyphenyl)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

5629-1084

Molecular Formula

C20H15N3O3S (C20 H15 N3 O3 S)

Compound Name

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

IUPAC name

(2Z)-6-benzyl-2-[(3-methoxyphenyl)methylidene]-2H3H7H-[13]thiazolo[32-b][124]triazine-37-dione

SMILES

COc1cccc(/C=C(/C(N2N=C3Cc4ccccc4)=O)\SC2=NC3=O)c1

InChI

InChI=1S/C20H15N3O3S/c1-26-15-9-5-8-14(10-15)12-17-19(25)23-20(27-17)21-18(24)16(22-23)11-13-6-3-2-4-7-13/h2-10,12H,11H2,1H3

InChI Key

KRQOTLCVJWIJKI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03498454

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

377.42

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.069

Distribution Coefficient, logD

3.069

Water Solubility, LogSw

-3.38

Polar Surface Area

58.096

Acid Dissociation Constant (pKa)

21.46

Base Dissociation Constant (pKb)

-0.55

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

10.00

References: we are preparing a list of scientific research reports with 5629-1084 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5629-1084?
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What is the minimum amount of 5629-1084 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5629-1084
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5629-1084
  • 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 5629-1084 available by request