3683-0401 Screening compound: 2-[(2-phenoxyethyl)sulfanyl]-3-phenyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one

3683-0401 Screening compound: 2-[(2-phenoxyethyl)sulfanyl]-3-phenyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one
3683-0401 Screening compound: 2-[(2-phenoxyethyl)sulfanyl]-3-phenyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 3683-0401
2-[(2-phenoxyethyl)sulfanyl]-3-phenyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-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

3683-0401

Molecular Formula

C24H22N2O2S2 (C24 H22 N2 O2 S2)

Compound Name

2-[(2-phenoxyethyl)sulfanyl]-3-phenyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one

IUPAC name

5-[(2-phenoxyethyl)sulfanyl]-4-phenyl-8-thia-46-diazatricyclo[7.4.0.0^{27}]trideca-1(9)2(7)5-trien-3-one

SMILES

O=C1N(c2ccccc2)C(SCCOc2ccccc2)=Nc2c1c(CCCC1)c1s2

InChI

InChI=1S/C24H22N2O2S2/c27-23-21-19-13-7-8-14-20(19)30-22(21)25-24(26(23)17-9-3-1-4-10-17)29-16-15-28-18-11-5-2-6-12-18/h1-6,9-12H,7-8,13-16H2

InChI Key

SYXZPSAFASTMDR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01556633

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

434.58

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

5.456

Distribution Coefficient, logD

5.456

Water Solubility, LogSw

-5.70

Polar Surface Area

32.400

Acid Dissociation Constant (pKa)

24.97

Base Dissociation Constant (pKb)

0.12

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

3683-0401 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 3683-0401 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3683-0401?
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What is the minimum amount of 3683-0401 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3683-0401
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3683-0401
  • 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 3683-0401 available by request