4268-0210 Screening compound: (7Z)-7-[(3,4-dimethoxyphenyl)methylidene]-3-(3-fluorophenyl)-2H,3H,4H,6H,7H-[1,3]thiazolo[3,2-a][1,3,5]triazin-6-one

4268-0210 Screening compound: (7Z)-7-[(3,4-dimethoxyphenyl)methylidene]-3-(3-fluorophenyl)-2H,3H,4H,6H,7H-[1,3]thiazolo[3,2-a][1,3,5]triazin-6-one
4268-0210 Screening compound: (7Z)-7-[(3,4-dimethoxyphenyl)methylidene]-3-(3-fluorophenyl)-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 4268-0210
(7Z)-7-[(3,4-dimethoxyphenyl)methylidene]-3-(3-fluorophenyl)-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

4268-0210

Molecular Formula

C20H18FN3O3S (C20 H18 FN3 O3 S)

Compound Name

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

IUPAC name

(7Z)-7-[(34-dimethoxyphenyl)methylidene]-3-(3-fluorophenyl)-2H3H4H6H7H-[13]thiazolo[32-a][135]triazin-6-one

SMILES

COc(ccc(/C=C(/C(N1C2)=O)\SC1=NCN2c1cc(F)ccc1)c1)c1OC

InChI

InChI=1S/C20H18FN3O3S/c1-26-16-7-6-13(8-17(16)27-2)9-18-19(25)24-12-23(11-22-20(24)28-18)15-5-3-4-14(21)10-15/h3-10H,11-12H2,1-2H3

InChI Key

JOEPKUMUUFJDTI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02992628

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

399.45

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.101

Distribution Coefficient, logD

4.075

Water Solubility, LogSw

-4.39

Polar Surface Area

44.767

Acid Dissociation Constant (pKa)

31.61

Base Dissociation Constant (pKb)

6.19

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.00

References: we are preparing a list of scientific research reports with 4268-0210 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4268-0210?
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What is the minimum amount of 4268-0210 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4268-0210
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4268-0210
  • 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 4268-0210 available by request