4268-0087 Screening compound: (7Z)-7-[(furan-2-yl)methylidene]-3-(3-nitrophenyl)-2H,3H,4H,6H,7H-[1,3]thiazolo[3,2-a][1,3,5]triazin-6-one

4268-0087 Screening compound: (7Z)-7-[(furan-2-yl)methylidene]-3-(3-nitrophenyl)-2H,3H,4H,6H,7H-[1,3]thiazolo[3,2-a][1,3,5]triazin-6-one
4268-0087 Screening compound: (7Z)-7-[(furan-2-yl)methylidene]-3-(3-nitrophenyl)-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 4268-0087
(7Z)-7-[(furan-2-yl)methylidene]-3-(3-nitrophenyl)-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

4268-0087

Molecular Formula

C16H12N4O4S (C16 H12 N4 O4 S)

Compound Name

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

IUPAC name

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

SMILES

[O-][N+](c1cccc(N(CN2C3=O)CN=C2S/C3=C\c2ccco2)c1)=O

InChI

InChI=1S/C16H12N4O4S/c21-15-14(8-13-5-2-6-24-13)25-16-17-9-18(10-19(15)16)11-3-1-4-12(7-11)20(22)23/h1-8H,9-10H2

InChI Key

BMOXVWBWAJILBX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02989889

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

356.36

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.563

Distribution Coefficient, logD

3.557

Water Solubility, LogSw

-3.75

Polar Surface Area

70.636

Acid Dissociation Constant (pKa)

31.84

Base Dissociation Constant (pKb)

5.51

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

12.50

References: we are preparing a list of scientific research reports with 4268-0087 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4268-0087?
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What is the minimum amount of 4268-0087 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4268-0087
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4268-0087
  • 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 4268-0087 available by request