8640-0396 Screening compound: 4-(benzylsulfanyl)-2-ethyl-6,6-dimethyl-5,8-dihydro-6H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidine

8640-0396 Screening compound: 4-(benzylsulfanyl)-2-ethyl-6,6-dimethyl-5,8-dihydro-6H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidine
8640-0396 Screening compound: 4-(benzylsulfanyl)-2-ethyl-6,6-dimethyl-5,8-dihydro-6H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidine alternative view

Chemical Structure Depiction of ChemDiv screening compound 8640-0396
4-(benzylsulfanyl)-2-ethyl-6,6-dimethyl-5,8-dihydro-6H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidine

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

8640-0396

Molecular Formula

C20H22N2OS2 (C20 H22 N2 OS2)

Compound Name

4-(benzylsulfanyl)-2-ethyl-6,6-dimethyl-5,8-dihydro-6H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidine

IUPAC name

3-(benzylsulfanyl)-5-ethyl-1212-dimethyl-11-oxa-8-thia-46-diazatricyclo[7.4.0.0^{27}]trideca-1(9)2(7)35-tetraene

SMILES

CCc1nc(SCc2ccccc2)c(c(CC(C)(C)OC2)c2s2)c2n1

InChI

InChI=1S/C20H22N2OS2/c1-4-16-21-18(24-12-13-8-6-5-7-9-13)17-14-10-20(2,3)23-11-15(14)25-19(17)22-16/h5-9H,4,10-12H2,1-3H3

InChI Key

JHQIZXSNKGTQJA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03298635

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

370.54

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

5.556

Distribution Coefficient, logD

5.555

Water Solubility, LogSw

-5.84

Polar Surface Area

28.382

Acid Dissociation Constant (pKa)

23.48

Base Dissociation Constant (pKb)

4.71

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

40.00

8640-0396 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 8640-0396 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8640-0396?
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What is the minimum amount of 8640-0396 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8640-0396
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8640-0396
  • 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 8640-0396 available by request