Y010-1012 Screening compound: 3-amino-8-methyl-2H,6H-pyrimido[2,1-b][1,3,4]thiadiazin-6-one

Y010-1012 Screening compound: 3-amino-8-methyl-2H,6H-pyrimido[2,1-b][1,3,4]thiadiazin-6-one
Y010-1012 Screening compound: 3-amino-8-methyl-2H,6H-pyrimido[2,1-b][1,3,4]thiadiazin-6-one alternative view

Chemical Structure Depiction of ChemDiv screening compound Y010-1012
3-amino-8-methyl-2H,6H-pyrimido[2,1-b][1,3,4]thiadiazin-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

Y010-1012

Molecular Formula

C7H8N4OS (C7 H8 N4 OS)

Compound Name

3-amino-8-methyl-2H,6H-pyrimido[2,1-b][1,3,4]thiadiazin-6-one

IUPAC name

3-amino-8-methyl-2H6H-pyrimido[21-b][134]thiadiazin-6-one

SMILES

CC(N=C1SCC(N)=NN11)=CC1=O

InChI

InChI=1S/C7H8N4OS/c1-4-2-6(12)11-7(9-4)13-3-5(8)10-11/h2H,3H2,1H3,(H2,8,10)

InChI Key

RPDQVGGDAYZPIC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06243738

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

196.23

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

0.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

-0.223

Distribution Coefficient, logD

-1.918

Water Solubility, LogSw

-0.81

Polar Surface Area

58.921

Acid Dissociation Constant (pKa)

14.78

Base Dissociation Constant (pKb)

9.09

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

28.57

Y010-1012 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 compounds)

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

Chelators targeting matrix metalloproteinases library (8930 compounds)

Fragments Library (11262 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Cancer
  • Digestive system
  • Cardiovascular
Agro:
  • Agro
Targets:
  • Proteases
Structure:
  • Fragments

References: we are preparing a list of scientific research reports with Y010-1012 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y010-1012?
Check Price and Availability of Y010-1012, 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 Y010-1012 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y010-1012
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y010-1012
  • 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 Y010-1012 available by request