3473-0417 Screening compound: 3-benzyl-2-(isopentylsulfanyl)-3,5,6,7-tetrahydro-4H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-4-one

3473-0417 Screening compound: 3-benzyl-2-(isopentylsulfanyl)-3,5,6,7-tetrahydro-4H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-4-one
3473-0417 Screening compound: 3-benzyl-2-(isopentylsulfanyl)-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 3473-0417
3-benzyl-2-(isopentylsulfanyl)-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

3473-0417

Molecular Formula

C21H24N2OS2 (C21 H24 N2 OS2)

Compound Name

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

IUPAC name

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

SMILES

CC(C)CCSC(N1Cc2ccccc2)=Nc(sc2c3CCC2)c3C1=O

InChI

InChI=1S/C21H24N2OS2/c1-14(2)11-12-25-21-22-19-18(16-9-6-10-17(16)26-19)20(24)23(21)13-15-7-4-3-5-8-15/h3-5,7-8,14H,6,9-13H2,1-2H3

InChI Key

GJGKCLNPTCNBCF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01563432

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

6.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

5.783

Distribution Coefficient, logD

5.783

Water Solubility, LogSw

-5.46

Polar Surface Area

26.231

Acid Dissociation Constant (pKa)

20.09

Base Dissociation Constant (pKb)

-3.79

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

42.90

References: we are preparing a list of scientific research reports with 3473-0417 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3473-0417?
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What is the minimum amount of 3473-0417 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3473-0417
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3473-0417
  • 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 3473-0417 available by request