4268-0033 Screening compound: (7Z)-3-(2H-1,3-benzodioxol-5-yl)-7-[(3-nitrophenyl)methylidene]-2H,3H,4H,6H,7H-[1,3]thiazolo[3,2-a][1,3,5]triazin-6-one

4268-0033 Screening compound: (7Z)-3-(2H-1,3-benzodioxol-5-yl)-7-[(3-nitrophenyl)methylidene]-2H,3H,4H,6H,7H-[1,3]thiazolo[3,2-a][1,3,5]triazin-6-one
4268-0033 Screening compound: (7Z)-3-(2H-1,3-benzodioxol-5-yl)-7-[(3-nitrophenyl)methylidene]-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 4268-0033
(7Z)-3-(2H-1,3-benzodioxol-5-yl)-7-[(3-nitrophenyl)methylidene]-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

4268-0033

Molecular Formula

C19H14N4O5S (C19 H14 N4 O5 S)

Compound Name

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

IUPAC name

(7Z)-3-(2H-13-benzodioxol-5-yl)-7-[(3-nitrophenyl)methylidene]-2H3H4H6H7H-[13]thiazolo[32-a][135]triazin-6-one

SMILES

[O-][N+](c1cccc(/C=C(/C(N2C3)=O)\SC2=NCN3c(cc2)cc3c2OCO3)c1)=O

InChI

InChI=1S/C19H14N4O5S/c24-18-17(7-12-2-1-3-14(6-12)23(25)26)29-19-20-9-21(10-22(18)19)13-4-5-15-16(8-13)28-11-27-15/h1-8H,9-11H2

InChI Key

AGJNEPGMFRNYFO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02989767

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

410.41

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

4.191

Distribution Coefficient, logD

4.172

Water Solubility, LogSw

-4.47

Polar Surface Area

80.003

Acid Dissociation Constant (pKa)

31.84

Base Dissociation Constant (pKb)

6.06

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.80

References: we are preparing a list of scientific research reports with 4268-0033 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 4268-0033
ChemDiv sends parcels with Express services (UPS, WC).
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Delivery formats for 4268-0033
  • 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 4268-0033 available by request