8020-0475 Screening compound: 5-amino-1-[2-(methylsulfanyl)-6,7-dihydro-5H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-4-yl]-1H-pyrazol-4-yl cyanide

8020-0475 Screening compound: 5-amino-1-[2-(methylsulfanyl)-6,7-dihydro-5H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-4-yl]-1H-pyrazol-4-yl cyanide
8020-0475 Screening compound: 5-amino-1-[2-(methylsulfanyl)-6,7-dihydro-5H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-4-yl]-1H-pyrazol-4-yl cyanide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8020-0475
5-amino-1-[2-(methylsulfanyl)-6,7-dihydro-5H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-4-yl]-1H-pyrazol-4-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

8020-0475

Molecular Formula

C14H12N6S2 (C14 H12 N6 S2)

Compound Name

5-amino-1-[2-(methylsulfanyl)-6,7-dihydro-5H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-4-yl]-1H-pyrazol-4-yl cyanide

IUPAC name

5-amino-1-[10-(methylsulfanyl)-7-thia-911-diazatricyclo[6.4.0.0^{26}]dodeca-1(8)2(6)911-tetraen-12-yl]-1H-pyrazole-4-carbonitrile

SMILES

CSc1nc(-n2ncc(C#N)c2N)c(c(CCC2)c2s2)c2n1

InChI

InChI=1S/C14H12N6S2/c1-21-14-18-12(20-11(16)7(5-15)6-17-20)10-8-3-2-4-9(8)22-13(10)19-14/h6H,2-4,16H2,1H3

InChI Key

JRUUSKIQEYSIRK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03685105

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

328.42

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.339

Distribution Coefficient, logD

3.339

Water Solubility, LogSw

-3.97

Polar Surface Area

69.228

Acid Dissociation Constant (pKa)

19.36

Base Dissociation Constant (pKb)

3.74

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

28.60

8020-0475 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 8020-0475 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8020-0475?
Check Price and Availability of 8020-0475, 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 8020-0475 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8020-0475
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8020-0475
  • 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 8020-0475 available by request