8018-2025 Screening compound: 2-amino-4-(1,3-benzodioxol-5-yl)-5-oxo-5H-pyrido[3,2-e][1,3]thiazolo[3,2-a]pyrimidin-3-yl cyanide

8018-2025 Screening compound: 2-amino-4-(1,3-benzodioxol-5-yl)-5-oxo-5H-pyrido[3,2-e][1,3]thiazolo[3,2-a]pyrimidin-3-yl cyanide
8018-2025 Screening compound: 2-amino-4-(1,3-benzodioxol-5-yl)-5-oxo-5H-pyrido[3,2-e][1,3]thiazolo[3,2-a]pyrimidin-3-yl cyanide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8018-2025
2-amino-4-(1,3-benzodioxol-5-yl)-5-oxo-5H-pyrido[3,2-e][1,3]thiazolo[3,2-a]pyrimidin-3-yl cyanide

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

8018-2025

Molecular Formula

C17H9N5O3S (C17 H9 N5 O3 S)

Compound Name

2-amino-4-(1,3-benzodioxol-5-yl)-5-oxo-5H-pyrido[3,2-e][1,3]thiazolo[3,2-a]pyrimidin-3-yl cyanide

IUPAC name

12-amino-10-(2H-13-benzodioxol-5-yl)-8-oxo-5-thia-2713-triazatricyclo[7.4.0.0^{26}]trideca-1(9)361012-pentaene-11-carbonitrile

SMILES

Nc(c(C#N)c1-c(cc2)cc3c2OCO3)nc(N(C=CS2)C2=N2)c1C2=O

InChI

InChI=1S/C17H9N5O3S/c18-6-9-12(8-1-2-10-11(5-8)25-7-24-10)13-15(20-14(9)19)22-3-4-26-17(22)21-16(13)23/h1-5H,7H2,(H2,19,20)

InChI Key

JIAMITKRNRPRFN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD07657247

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

363.36

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

1.603

Distribution Coefficient, logD

1.603

Water Solubility, LogSw

-2.35

Polar Surface Area

89.686

Acid Dissociation Constant (pKa)

16.68

Base Dissociation Constant (pKb)

2.11

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

5.90

8018-2025 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

Antimitotic Tubulin Library (17355 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

C-Met Library (15277 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Endocrine
Targets:
  • Kinases
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with 8018-2025 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8018-2025?
Check Price and Availability of 8018-2025, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of 8018-2025 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8018-2025
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8018-2025
  • 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 8018-2025 available by request