4386-0421 Screening compound: 6,6-dimethyl-3-phenethyl-2-(propylsulfanyl)-3,5,6,8-tetrahydro-4H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-one

4386-0421 Screening compound: 6,6-dimethyl-3-phenethyl-2-(propylsulfanyl)-3,5,6,8-tetrahydro-4H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-one
4386-0421 Screening compound: 6,6-dimethyl-3-phenethyl-2-(propylsulfanyl)-3,5,6,8-tetrahydro-4H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 4386-0421
6,6-dimethyl-3-phenethyl-2-(propylsulfanyl)-3,5,6,8-tetrahydro-4H-pyrano[4',3':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

4386-0421

Molecular Formula

C22H26N2O2S2 (C22 H26 N2 O2 S2)

Compound Name

6,6-dimethyl-3-phenethyl-2-(propylsulfanyl)-3,5,6,8-tetrahydro-4H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-one

IUPAC name

1212-dimethyl-4-(2-phenylethyl)-5-(propylsulfanyl)-11-oxa-8-thia-46-diazatricyclo[7.4.0.0^{27}]trideca-1(9)2(7)5-trien-3-one

SMILES

CCCSC(N1CCc2ccccc2)=Nc(sc2c3CC(C)(C)OC2)c3C1=O

InChI

InChI=1S/C22H26N2O2S2/c1-4-12-27-21-23-19-18(16-13-22(2,3)26-14-17(16)28-19)20(25)24(21)11-10-15-8-6-5-7-9-15/h5-9H,4,10-14H2,1-3H3

InChI Key

DWVXHZKBGUPVOX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01950879

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

414.59

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

5.397

Distribution Coefficient, logD

5.397

Water Solubility, LogSw

-5.45

Polar Surface Area

33.541

Acid Dissociation Constant (pKa)

25.82

Base Dissociation Constant (pKb)

-3.19

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

45.50

4386-0421 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 4386-0421 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4386-0421?
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What is the minimum amount of 4386-0421 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4386-0421
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4386-0421
  • 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 4386-0421 available by request