8640-0296 Screening compound: 6-ethyl-6-methyl-2-(methylsulfanyl)-4-(phenethylsulfanyl)-5,8-dihydro-6H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidine

8640-0296 Screening compound: 6-ethyl-6-methyl-2-(methylsulfanyl)-4-(phenethylsulfanyl)-5,8-dihydro-6H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidine
8640-0296 Screening compound: 6-ethyl-6-methyl-2-(methylsulfanyl)-4-(phenethylsulfanyl)-5,8-dihydro-6H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidine alternative view

Chemical Structure Depiction of ChemDiv screening compound 8640-0296
6-ethyl-6-methyl-2-(methylsulfanyl)-4-(phenethylsulfanyl)-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

8640-0296

Molecular Formula

C21H24N2OS3 (C21 H24 N2 OS3)

Compound Name

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

IUPAC name

12-ethyl-12-methyl-5-(methylsulfanyl)-3-[(2-phenylethyl)sulfanyl]-11-oxa-8-thia-46-diazatricyclo[7.4.0.0^{27}]trideca-1(9)2(7)35-tetraene

SMILES

CCC(C)(C1)OCc(sc2nc(SC)n3)c1c2c3SCCc1ccccc1

InChI

InChI=1S/C21H24N2OS3/c1-4-21(2)12-15-16(13-24-21)27-19-17(15)18(22-20(23-19)25-3)26-11-10-14-8-6-5-7-9-14/h5-9H,4,10-13H2,1-3H3/t21-/m0/s1

InChI Key

UVOROXLTBLZOJJ-NRFANRHFSA-N

MDL Number (MFCD)

MFCD03679769

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

416.63

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

6.802

Distribution Coefficient, logD

6.802

Water Solubility, LogSw

-6.20

Polar Surface Area

26.308

Acid Dissociation Constant (pKa)

24.14

Base Dissociation Constant (pKb)

2.18

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

42.90

References: we are preparing a list of scientific research reports with 8640-0296 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8640-0296?
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What is the minimum amount of 8640-0296 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8640-0296
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8640-0296
  • 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 8640-0296 available by request