C451-0141 Screening compound: (2E)-2-[(5-bromo-2-methoxyphenyl)methylidene]-6-[(4-fluorophenyl)methyl]-2H,3H,7H-[1,3]thiazolo[3,2-b][1,2,4]triazine-3,7-dione

C451-0141 Screening compound: (2E)-2-[(5-bromo-2-methoxyphenyl)methylidene]-6-[(4-fluorophenyl)methyl]-2H,3H,7H-[1,3]thiazolo[3,2-b][1,2,4]triazine-3,7-dione
C451-0141 Screening compound: (2E)-2-[(5-bromo-2-methoxyphenyl)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 C451-0141
(2E)-2-[(5-bromo-2-methoxyphenyl)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

C451-0141

Molecular Formula

C20H13BrFN3O3S (C20 H13 BrFN3 O3 S)

Compound Name

(2E)-2-[(5-bromo-2-methoxyphenyl)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-[(5-bromo-2-methoxyphenyl)methylidene]-6-[(4-fluorophenyl)methyl]-2H3H7H-[13]thiazolo[32-b][124]triazine-37-dione

SMILES

COc(cc1)c(/C=C(\C(N2N=C3Cc(cc4)ccc4F)=O)/SC2=NC3=O)cc1Br

InChI

InChI=1S/C20H13BrFN3O3S/c1-28-16-7-4-13(21)9-12(16)10-17-19(27)25-20(29-17)23-18(26)15(24-25)8-11-2-5-14(22)6-3-11/h2-7,9-10H,8H2,1H3

InChI Key

MWJKIRJNRCNQPB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06290900

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

474.31

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.113

Distribution Coefficient, logD

4.113

Water Solubility, LogSw

-4.42

Polar Surface Area

58.182

Acid Dissociation Constant (pKa)

20.99

Base Dissociation Constant (pKb)

-0.55

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

10.00

References: we are preparing a list of scientific research reports with C451-0141 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 C451-0141
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C451-0141
  • 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 C451-0141 available by request