C451-0160 Screening compound: (2E)-2-[(2-butoxyphenyl)methylidene]-6-[(4-fluorophenyl)methyl]-2H,3H,7H-[1,3]thiazolo[3,2-b][1,2,4]triazine-3,7-dione

C451-0160 Screening compound: (2E)-2-[(2-butoxyphenyl)methylidene]-6-[(4-fluorophenyl)methyl]-2H,3H,7H-[1,3]thiazolo[3,2-b][1,2,4]triazine-3,7-dione
C451-0160 Screening compound: (2E)-2-[(2-butoxyphenyl)methylidene]-6-[(4-fluorophenyl)methyl]-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 C451-0160
(2E)-2-[(2-butoxyphenyl)methylidene]-6-[(4-fluorophenyl)methyl]-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

C451-0160

Molecular Formula

C23H20FN3O3S (C23 H20 FN3 O3 S)

Compound Name

(2E)-2-[(2-butoxyphenyl)methylidene]-6-[(4-fluorophenyl)methyl]-2H,3H,7H-[1,3]thiazolo[3,2-b][1,2,4]triazine-3,7-dione

IUPAC name

(2E)-2-[(2-butoxyphenyl)methylidene]-6-[(4-fluorophenyl)methyl]-2H3H7H-[13]thiazolo[32-b][124]triazine-37-dione

SMILES

CCCCOc1c(/C=C(\C(N2N=C3Cc(cc4)ccc4F)=O)/SC2=NC3=O)cccc1

InChI

InChI=1S/C23H20FN3O3S/c1-2-3-12-30-19-7-5-4-6-16(19)14-20-22(29)27-23(31-20)25-21(28)18(26-27)13-15-8-10-17(24)11-9-15/h4-11,14H,2-3,12-13H2,1H3

InChI Key

AOJCPJIMKDCIHR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06290910

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

437.49

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.934

Distribution Coefficient, logD

4.934

Water Solubility, LogSw

-4.67

Polar Surface Area

58.056

Acid Dissociation Constant (pKa)

20.99

Base Dissociation Constant (pKb)

-0.55

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

21.70

References: we are preparing a list of scientific research reports with C451-0160 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 C451-0160
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C451-0160
  • 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 C451-0160 available by request