8640-0015 Screening compound: 3-(allylsulfanyl)-5-(benzylsulfanyl)-10,10-dimethyl-10,11-dihydro-8H-pyrano[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidine

8640-0015 Screening compound: 3-(allylsulfanyl)-5-(benzylsulfanyl)-10,10-dimethyl-10,11-dihydro-8H-pyrano[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidine
8640-0015 Screening compound: 3-(allylsulfanyl)-5-(benzylsulfanyl)-10,10-dimethyl-10,11-dihydro-8H-pyrano[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidine alternative view

Chemical Structure Depiction of ChemDiv screening compound 8640-0015
3-(allylsulfanyl)-5-(benzylsulfanyl)-10,10-dimethyl-10,11-dihydro-8H-pyrano[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[4,3-c]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

8640-0015

Molecular Formula

C22H22N4OS3 (C22 H22 N4 OS3)

Compound Name

3-(allylsulfanyl)-5-(benzylsulfanyl)-10,10-dimethyl-10,11-dihydro-8H-pyrano[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidine

IUPAC name

7-(benzylsulfanyl)-1414-dimethyl-5-(prop-2-en-1-ylsulfanyl)-13-oxa-10-thia-3468-tetraazatetracyclo[7.7.0.0^{26}.0^{1116}]hexadeca-1(9)24711(16)-pentaene

SMILES

CC(C)(C1)OCc2c1c(c(n1c(SCc3ccccc3)n3)nnc1SCC=C)c3s2

InChI

InChI=1S/C22H22N4OS3/c1-4-10-28-21-25-24-18-17-15-11-22(2,3)27-12-16(15)30-19(17)23-20(26(18)21)29-13-14-8-6-5-7-9-14/h4-9H,1,10-13H2,2-3H3

InChI Key

CJTNWIRCLUOCDO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14713523

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

454.64

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.173

Distribution Coefficient, logD

5.173

Water Solubility, LogSw

-5.31

Polar Surface Area

42.721

Acid Dissociation Constant (pKa)

26.29

Base Dissociation Constant (pKb)

1.42

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

31.80

References: we are preparing a list of scientific research reports with 8640-0015 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8640-0015?
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What is the minimum amount of 8640-0015 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8640-0015
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8640-0015
  • 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 8640-0015 available by request