8009-3921 Screening compound: 3-methyl-2-sulfanyl-3,5,6,7-tetrahydro-4H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-4-one

8009-3921 Screening compound: 3-methyl-2-sulfanyl-3,5,6,7-tetrahydro-4H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-4-one
8009-3921 Screening compound: 3-methyl-2-sulfanyl-3,5,6,7-tetrahydro-4H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 8009-3921
3-methyl-2-sulfanyl-3,5,6,7-tetrahydro-4H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-4-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

8009-3921

Molecular Formula

C10H10N2OS2 (C10 H10 N2 OS2)

Compound Name

3-methyl-2-sulfanyl-3,5,6,7-tetrahydro-4H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-4-one

IUPAC name

11-methyl-10-sulfanyl-7-thia-911-diazatricyclo[6.4.0.0^{26}]dodeca-1(8)2(6)9-trien-12-one

SMILES

CN1C(S)=Nc(sc2c3CCC2)c3C1=O

InChI

InChI=1S/C10H10N2OS2/c1-12-9(13)7-5-3-2-4-6(5)15-8(7)11-10(12)14/h2-4H2,1H3,(H,11,14)

InChI Key

VUNKMNQMFCSUJN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01571904

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

238.33

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

0.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

1.980

Distribution Coefficient, logD

-2.034

Water Solubility, LogSw

-2.05

Polar Surface Area

25.775

Acid Dissociation Constant (pKa)

3.39

Base Dissociation Constant (pKb)

-1.55

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

40.00

8009-3921 in Drug Discovery

Included in Screening Libraries

Fragments Library (11262 compounds)

RNA-Protein Interaction Inhibitors Library (1986 compounds)

Carbonic Anhydrase II Library (4939 compounds)

Included in 1.7M Stock Database

Structure:
  • Fragments

References: we are preparing a list of scientific research reports with 8009-3921 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8009-3921?
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What is the minimum amount of 8009-3921 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8009-3921
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8009-3921
  • 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 8009-3921 available by request