4268-0077 Screening compound: (7Z)-3-(4-nitrophenyl)-7-[(pyridin-3-yl)methylidene]-2H,3H,4H,6H,7H-[1,3]thiazolo[3,2-a][1,3,5]triazin-6-one

4268-0077 Screening compound: (7Z)-3-(4-nitrophenyl)-7-[(pyridin-3-yl)methylidene]-2H,3H,4H,6H,7H-[1,3]thiazolo[3,2-a][1,3,5]triazin-6-one
4268-0077 Screening compound: (7Z)-3-(4-nitrophenyl)-7-[(pyridin-3-yl)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 4268-0077
(7Z)-3-(4-nitrophenyl)-7-[(pyridin-3-yl)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

4268-0077

Molecular Formula

C17H13N5O3S (C17 H13 N5 O3 S)

Compound Name

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

IUPAC name

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

SMILES

[O-][N+](c(cc1)ccc1N(CN1C2=O)CN=C1S/C2=C\c1cnccc1)=O

InChI

InChI=1S/C17H13N5O3S/c23-16-15(8-12-2-1-7-18-9-12)26-17-19-10-20(11-21(16)17)13-3-5-14(6-4-13)22(24)25/h1-9H,10-11H2

InChI Key

JFSGDCRFSSYQJQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02985798

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

367.39

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

3.370

Distribution Coefficient, logD

3.344

Water Solubility, LogSw

-3.41

Polar Surface Area

72.406

Acid Dissociation Constant (pKa)

31.84

Base Dissociation Constant (pKb)

6.19

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

11.80

4268-0077 in Drug Discovery

Included in Screening Libraries

Anti-infective Library (19449 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal

References: we are preparing a list of scientific research reports with 4268-0077 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 4268-0077
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4268-0077
  • 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 4268-0077 available by request