8005-2585 Screening compound: 2-(methylsulfanyl)-[1,3]thiazolo[4,5-d]pyrimidine-5,7-diamine

8005-2585 Screening compound: 2-(methylsulfanyl)-[1,3]thiazolo[4,5-d]pyrimidine-5,7-diamine
8005-2585 Screening compound: 2-(methylsulfanyl)-[1,3]thiazolo[4,5-d]pyrimidine-5,7-diamine alternative view

Chemical Structure Depiction of ChemDiv screening compound 8005-2585
2-(methylsulfanyl)-[1,3]thiazolo[4,5-d]pyrimidine-5,7-diamine

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

8005-2585

Molecular Formula

C6H7N5S2 (C6 H7 N5 S2)

Compound Name

2-(methylsulfanyl)-[1,3]thiazolo[4,5-d]pyrimidine-5,7-diamine

IUPAC name

2-(methylsulfanyl)-[13]thiazolo[45-d]pyrimidine-57-diamine

SMILES

CSc1nc2nc(N)nc(N)c2s1

InChI

InChI=1S/C6H7N5S2/c1-12-6-11-4-2(13-6)3(7)9-5(8)10-4/h1H3,(H4,7,8,9,10)

InChI Key

XBEJJWGLFWHDAM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00747870

Chemical and Physical Properties

Saltdata

HCl

Molecular Weight

213.29

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

4.00

Rotatable Bond Count

1.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

1.505

Distribution Coefficient, logD

1.485

Water Solubility, LogSw

-1.49

Polar Surface Area

70.380

Acid Dissociation Constant (pKa)

18.96

Base Dissociation Constant (pKb)

6.08

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.70

8005-2585 in Drug Discovery

Included in Screening Libraries

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

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • Phosphatases

References: we are preparing a list of scientific research reports with 8005-2585 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8005-2585?
Check Price and Availability of 8005-2585, 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 8005-2585 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8005-2585
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8005-2585
  • 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 8005-2585 available by request