3473-0073 Screening compound: 2-(isopentylsulfanyl)-3-(4-methylphenyl)-3,5,6,7-tetrahydro-4H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-4-one

3473-0073 Screening compound: 2-(isopentylsulfanyl)-3-(4-methylphenyl)-3,5,6,7-tetrahydro-4H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-4-one
3473-0073 Screening compound: 2-(isopentylsulfanyl)-3-(4-methylphenyl)-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 3473-0073
2-(isopentylsulfanyl)-3-(4-methylphenyl)-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

3473-0073

Molecular Formula

C21H24N2OS2 (C21 H24 N2 OS2)

Compound Name

2-(isopentylsulfanyl)-3-(4-methylphenyl)-3,5,6,7-tetrahydro-4H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-4-one

IUPAC name

10-[(3-methylbutyl)sulfanyl]-11-(4-methylphenyl)-7-thia-911-diazatricyclo[6.4.0.0^{26}]dodeca-1(8)2(6)9-trien-12-one

SMILES

CC(C)CCSC(N1c2ccc(C)cc2)=Nc(sc2c3CCC2)c3C1=O

InChI

InChI=1S/C21H24N2OS2/c1-13(2)11-12-25-21-22-19-18(16-5-4-6-17(16)26-19)20(24)23(21)15-9-7-14(3)8-10-15/h7-10,13H,4-6,11-12H2,1-3H3

InChI Key

TVIPQOWCJHDHPC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01956207

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

384.57

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

5.733

Distribution Coefficient, logD

5.733

Water Solubility, LogSw

-5.44

Polar Surface Area

25.620

Acid Dissociation Constant (pKa)

20.09

Base Dissociation Constant (pKb)

-0.57

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

42.90

3473-0073 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

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

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Female
  • Congenital
  • Skin
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with 3473-0073 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3473-0073?
Check Price and Availability of 3473-0073, 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 3473-0073 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3473-0073
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3473-0073
  • 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 3473-0073 available by request