1300-0041 Screening compound: 2,5,7-trimethyl-2H,3H-[1,3]thiazolo[3,2-a]pyrimidin-4-ium

1300-0041 Screening compound: 2,5,7-trimethyl-2H,3H-[1,3]thiazolo[3,2-a]pyrimidin-4-ium
1300-0041 Screening compound: 2,5,7-trimethyl-2H,3H-[1,3]thiazolo[3,2-a]pyrimidin-4-ium alternative view

Chemical Structure Depiction of ChemDiv screening compound 1300-0041
2,5,7-trimethyl-2H,3H-[1,3]thiazolo[3,2-a]pyrimidin-4-ium

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

1300-0041

Molecular Formula

C9H13N2S (C9 H13 N2 S)

Compound Name

2,5,7-trimethyl-2H,3H-[1,3]thiazolo[3,2-a]pyrimidin-4-ium

IUPAC name

257-trimethyl-2H3H-4lambda5-[13]thiazolo[32-a]pyrimidin-4-ylium

SMILES

CC(C1)Sc2[n+]1c(C)cc(C)n2

InChI

InChI=1S/C9H13N2S/c1-6-4-7(2)11-5-8(3)12-9(11)10-6/h4,8H,5H2,1-3H3/q+1/t8-/m0/s1

InChI Key

IQXSHXQELZWYOJ-QMMMGPOBSA-N

MDL Number (MFCD)

MFCD00994797

Chemical and Physical Properties

Saltdata

ClO4-

Molecular Weight

181.28

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

0.00

Number of Nitrogen and Oxygen Atoms

2

Partition Coefficient, logP

2.136

Distribution Coefficient, logD

2.136

Water Solubility, LogSw

-1.96

Polar Surface Area

10.155

Acid Dissociation Constant (pKa)

24.32

Base Dissociation Constant (pKb)

-0.74

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

55.60

1300-0041 in Drug Discovery

Included in Screening Libraries

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

Akt-Targeted Library (14764 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Targets:
  • Kinases
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 1300-0041 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1300-0041?
Check Price and Availability of 1300-0041, 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 1300-0041 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1300-0041
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1300-0041
  • 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 1300-0041 available by request