6764-0254 Screening compound: (2Z)-6-[(4-chlorophenyl)methyl]-2-[(thiophen-2-yl)methylidene]-2H,3H,7H-[1,3]thiazolo[3,2-b][1,2,4]triazine-3,7-dione

6764-0254 Screening compound: (2Z)-6-[(4-chlorophenyl)methyl]-2-[(thiophen-2-yl)methylidene]-2H,3H,7H-[1,3]thiazolo[3,2-b][1,2,4]triazine-3,7-dione
6764-0254 Screening compound: (2Z)-6-[(4-chlorophenyl)methyl]-2-[(thiophen-2-yl)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 6764-0254
(2Z)-6-[(4-chlorophenyl)methyl]-2-[(thiophen-2-yl)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

6764-0254

Molecular Formula

C17H10ClN3O2S2 (C17 H10 ClN3 O2 S2)

Compound Name

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

IUPAC name

(2Z)-6-[(4-chlorophenyl)methyl]-2-[(thiophen-2-yl)methylidene]-2H3H7H-[13]thiazolo[32-b][124]triazine-37-dione

SMILES

O=C(/C(/SC1=N2)=C/c3cccs3)N1N=C(Cc(cc1)ccc1Cl)C2=O

InChI

InChI=1S/C17H10ClN3O2S2/c18-11-5-3-10(4-6-11)8-13-15(22)19-17-21(20-13)16(23)14(25-17)9-12-2-1-7-24-12/h1-7,9H,8H2

InChI Key

FPTDQDUVBMZYNS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04448335

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

387.87

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.388

Distribution Coefficient, logD

3.388

Water Solubility, LogSw

-3.72

Polar Surface Area

51.570

Acid Dissociation Constant (pKa)

20.99

Base Dissociation Constant (pKb)

-1.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

5.90

6764-0254 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Human Receptors Annotated Library (5376 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 6764-0254 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6764-0254?
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What is the minimum amount of 6764-0254 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6764-0254
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6764-0254
  • 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 6764-0254 available by request