4268-0203 Screening compound: (7Z)-7-[(pyridin-4-yl)methylidene]-3-[3-(trifluoromethyl)phenyl]-2H,3H,4H,6H,7H-[1,3]thiazolo[3,2-a][1,3,5]triazin-6-one

4268-0203 Screening compound: (7Z)-7-[(pyridin-4-yl)methylidene]-3-[3-(trifluoromethyl)phenyl]-2H,3H,4H,6H,7H-[1,3]thiazolo[3,2-a][1,3,5]triazin-6-one
4268-0203 Screening compound: (7Z)-7-[(pyridin-4-yl)methylidene]-3-[3-(trifluoromethyl)phenyl]-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 4268-0203
(7Z)-7-[(pyridin-4-yl)methylidene]-3-[3-(trifluoromethyl)phenyl]-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

4268-0203

Molecular Formula

C18H13F3N4OS (C18 H13 F3 N4 OS)

Compound Name

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

IUPAC name

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

SMILES

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

InChI

InChI=1S/C18H13F3N4OS/c19-18(20,21)13-2-1-3-14(9-13)24-10-23-17-25(11-24)16(26)15(27-17)8-12-4-6-22-7-5-12/h1-9H,10-11H2

InChI Key

VPVVRZYEHAOCJN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02923409

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

390.39

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.126

Distribution Coefficient, logD

4.018

Water Solubility, LogSw

-4.28

Polar Surface Area

38.934

Acid Dissociation Constant (pKa)

31.84

Base Dissociation Constant (pKb)

6.85

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.70

4268-0203 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 4268-0203 chemical compound. It will be published here after verification.

Frequently Asked Questions

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What is the minimum amount of 4268-0203 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4268-0203
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4268-0203
  • 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 4268-0203 available by request