4268-0202 Screening compound: (7Z)-3-(3-fluorophenyl)-7-[(pyridin-4-yl)methylidene]-2H,3H,4H,6H,7H-[1,3]thiazolo[3,2-a][1,3,5]triazin-6-one

4268-0202 Screening compound: (7Z)-3-(3-fluorophenyl)-7-[(pyridin-4-yl)methylidene]-2H,3H,4H,6H,7H-[1,3]thiazolo[3,2-a][1,3,5]triazin-6-one
4268-0202 Screening compound: (7Z)-3-(3-fluorophenyl)-7-[(pyridin-4-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 4268-0202
(7Z)-3-(3-fluorophenyl)-7-[(pyridin-4-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

4268-0202

Molecular Formula

C17H13FN4OS (C17 H13 FN4 OS)

Compound Name

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

IUPAC name

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

SMILES

O=C(/C(/S1)=C/c2ccncc2)N(C2)C1=NCN2c1cc(F)ccc1

InChI

InChI=1S/C17H13FN4OS/c18-13-2-1-3-14(9-13)21-10-20-17-22(11-21)16(23)15(24-17)8-12-4-6-19-7-5-12/h1-9H,10-11H2

InChI Key

UWZOAPSMAWIJDD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02995052

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

340.38

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.345

Distribution Coefficient, logD

3.319

Water Solubility, LogSw

-3.49

Polar Surface Area

38.934

Acid Dissociation Constant (pKa)

31.61

Base Dissociation Constant (pKb)

6.19

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

11.80

References: we are preparing a list of scientific research reports with 4268-0202 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 4268-0202
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4268-0202
  • 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 4268-0202 available by request