4268-0064 Screening compound: (7Z)-3-(4-methoxyphenyl)-7-[(pyridin-2-yl)methylidene]-2H,3H,4H,6H,7H-[1,3]thiazolo[3,2-a][1,3,5]triazin-6-one

4268-0064 Screening compound: (7Z)-3-(4-methoxyphenyl)-7-[(pyridin-2-yl)methylidene]-2H,3H,4H,6H,7H-[1,3]thiazolo[3,2-a][1,3,5]triazin-6-one
4268-0064 Screening compound: (7Z)-3-(4-methoxyphenyl)-7-[(pyridin-2-yl)methylidene]-2H,3H,4H,6H,7H-[1,3]thiazolo[3,2-a][1,3,5]triazin-6-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 4268-0064
(7Z)-3-(4-methoxyphenyl)-7-[(pyridin-2-yl)methylidene]-2H,3H,4H,6H,7H-[1,3]thiazolo[3,2-a][1,3,5]triazin-6-one

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

4268-0064

Molecular Formula

C18H16N4O2S (C18 H16 N4 O2 S)

Compound Name

(7Z)-3-(4-methoxyphenyl)-7-[(pyridin-2-yl)methylidene]-2H,3H,4H,6H,7H-[1,3]thiazolo[3,2-a][1,3,5]triazin-6-one

IUPAC name

(7Z)-3-(4-methoxyphenyl)-7-[(pyridin-2-yl)methylidene]-2H3H4H6H7H-[13]thiazolo[32-a][135]triazin-6-one

SMILES

COc(cc1)ccc1N(CN1C2=O)CN=C1S/C2=C\c1ncccc1

InChI

InChI=1S/C18H16N4O2S/c1-24-15-7-5-14(6-8-15)21-11-20-18-22(12-21)17(23)16(25-18)10-13-4-2-3-9-19-13/h2-10H,11-12H2,1H3

InChI Key

SDZWUTROCUPLRK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02988266

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

352.42

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.407

Distribution Coefficient, logD

3.398

Water Solubility, LogSw

-3.68

Polar Surface Area

46.593

Acid Dissociation Constant (pKa)

31.41

Base Dissociation Constant (pKb)

5.74

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.70

4268-0064 in Drug Discovery

Included in Screening Libraries

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 4268-0064 chemical compound. It will be published here after verification.

Frequently Asked Questions

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Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4268-0064
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Delivery formats for 4268-0064
  • 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 4268-0064 available by request