3473-0042 Screening compound: 3-(4-methoxyphenyl)-2-[(2-oxo-2-phenylethyl)sulfanyl]-3,5,6,7-tetrahydro-4H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-4-one

3473-0042 Screening compound: 3-(4-methoxyphenyl)-2-[(2-oxo-2-phenylethyl)sulfanyl]-3,5,6,7-tetrahydro-4H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-4-one
3473-0042 Screening compound: 3-(4-methoxyphenyl)-2-[(2-oxo-2-phenylethyl)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 3473-0042
3-(4-methoxyphenyl)-2-[(2-oxo-2-phenylethyl)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

3473-0042

Molecular Formula

C24H20N2O3S2 (C24 H20 N2 O3 S2)

Compound Name

3-(4-methoxyphenyl)-2-[(2-oxo-2-phenylethyl)sulfanyl]-3,5,6,7-tetrahydro-4H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-4-one

IUPAC name

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

SMILES

COc(cc1)ccc1N1C(SCC(c2ccccc2)=O)=Nc(sc2c3CCC2)c3C1=O

InChI

InChI=1S/C24H20N2O3S2/c1-29-17-12-10-16(11-13-17)26-23(28)21-18-8-5-9-20(18)31-22(21)25-24(26)30-14-19(27)15-6-3-2-4-7-15/h2-4,6-7,10-13H,5,8-9,14H2,1H3

InChI Key

QYTMMMYZPIZBPF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01953045

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

448.57

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.617

Distribution Coefficient, logD

4.617

Water Solubility, LogSw

-4.61

Polar Surface Area

46.139

Acid Dissociation Constant (pKa)

20.09

Base Dissociation Constant (pKb)

0.95

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.80

3473-0042 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

Anti-Inflammatory Library (24602 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with 3473-0042 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3473-0042?
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What is the minimum amount of 3473-0042 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3473-0042
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3473-0042
  • 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 3473-0042 available by request