5629-1163 Screening compound: (2Z)-6-methyl-2-[(3-phenoxyphenyl)methylidene]-2H,3H,7H-[1,3]thiazolo[3,2-b][1,2,4]triazine-3,7-dione

5629-1163 Screening compound: (2Z)-6-methyl-2-[(3-phenoxyphenyl)methylidene]-2H,3H,7H-[1,3]thiazolo[3,2-b][1,2,4]triazine-3,7-dione
5629-1163 Screening compound: (2Z)-6-methyl-2-[(3-phenoxyphenyl)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 5629-1163
(2Z)-6-methyl-2-[(3-phenoxyphenyl)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

5629-1163

Molecular Formula

C19H13N3O3S (C19 H13 N3 O3 S)

Compound Name

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

IUPAC name

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

SMILES

CC1=NN(C(/C(/S2)=C/c3cc(Oc4ccccc4)ccc3)=O)C2=NC1=O

InChI

InChI=1S/C19H13N3O3S/c1-12-17(23)20-19-22(21-12)18(24)16(26-19)11-13-6-5-9-15(10-13)25-14-7-3-2-4-8-14/h2-11H,1H3

InChI Key

ZXQIAYPDLWTOQK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03533616

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

363.4

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.268

Distribution Coefficient, logD

3.268

Water Solubility, LogSw

-3.58

Polar Surface Area

56.841

Acid Dissociation Constant (pKa)

27.88

Base Dissociation Constant (pKb)

-0.10

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

5.30

5629-1163 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 5629-1163 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5629-1163?
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What is the minimum amount of 5629-1163 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5629-1163
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5629-1163
  • 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 5629-1163 available by request