3683-0132 Screening compound: 3-(4-methoxyphenyl)-2-[(2-oxo-2-phenylethyl)sulfanyl]-3,5,6,7,8,9-hexahydro-4H-cyclohepta[4,5]thieno[2,3-d]pyrimidin-4-one

3683-0132 Screening compound: 3-(4-methoxyphenyl)-2-[(2-oxo-2-phenylethyl)sulfanyl]-3,5,6,7,8,9-hexahydro-4H-cyclohepta[4,5]thieno[2,3-d]pyrimidin-4-one
3683-0132 Screening compound: 3-(4-methoxyphenyl)-2-[(2-oxo-2-phenylethyl)sulfanyl]-3,5,6,7,8,9-hexahydro-4H-cyclohepta[4,5]thieno[2,3-d]pyrimidin-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 3683-0132
3-(4-methoxyphenyl)-2-[(2-oxo-2-phenylethyl)sulfanyl]-3,5,6,7,8,9-hexahydro-4H-cyclohepta[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

3683-0132

Molecular Formula

C26H24N2O3S2 (C26 H24 N2 O3 S2)

Compound Name

3-(4-methoxyphenyl)-2-[(2-oxo-2-phenylethyl)sulfanyl]-3,5,6,7,8,9-hexahydro-4H-cyclohepta[4,5]thieno[2,3-d]pyrimidin-4-one

IUPAC name

4-(4-methoxyphenyl)-5-[(2-oxo-2-phenylethyl)sulfanyl]-8-thia-46-diazatricyclo[7.5.0.0^{27}]tetradeca-1(9)2(7)5-trien-3-one

SMILES

COc(cc1)ccc1N1C(SCC(c2ccccc2)=O)=Nc(sc2c3CCCCC2)c3C1=O

InChI

InChI=1S/C26H24N2O3S2/c1-31-19-14-12-18(13-15-19)28-25(30)23-20-10-6-3-7-11-22(20)33-24(23)27-26(28)32-16-21(29)17-8-4-2-5-9-17/h2,4-5,8-9,12-15H,3,6-7,10-11,16H2,1H3

InChI Key

XDJCJPHOQFBUCF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01943704

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

476.62

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

5.523

Distribution Coefficient, logD

5.523

Water Solubility, LogSw

-5.42

Polar Surface Area

46.104

Acid Dissociation Constant (pKa)

25.20

Base Dissociation Constant (pKb)

2.18

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

26.90

3683-0132 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 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 3683-0132 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3683-0132?
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What is the minimum amount of 3683-0132 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3683-0132
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3683-0132
  • 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 3683-0132 available by request