8640-0034 Screening compound: 10-ethyl-10-methyl-5-(methylsulfanyl)-10,11-dihydro-8H-pyrano[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidin-3-yl phenethyl sulfide

8640-0034 Screening compound: 10-ethyl-10-methyl-5-(methylsulfanyl)-10,11-dihydro-8H-pyrano[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidin-3-yl phenethyl sulfide
8640-0034 Screening compound: 10-ethyl-10-methyl-5-(methylsulfanyl)-10,11-dihydro-8H-pyrano[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidin-3-yl phenethyl sulfide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8640-0034
10-ethyl-10-methyl-5-(methylsulfanyl)-10,11-dihydro-8H-pyrano[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidin-3-yl phenethyl sulfide

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

8640-0034

Molecular Formula

C22H24N4OS3 (C22 H24 N4 OS3)

Compound Name

10-ethyl-10-methyl-5-(methylsulfanyl)-10,11-dihydro-8H-pyrano[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidin-3-yl phenethyl sulfide

IUPAC name

14-ethyl-14-methyl-7-(methylsulfanyl)-5-[(2-phenylethyl)sulfanyl]-13-oxa-10-thia-3468-tetraazatetracyclo[7.7.0.0^{26}.0^{1116}]hexadeca-1(9)24711(16)-pentaene

SMILES

CCC(C)(C1)OCc2c1c(c(n1c(SC)n3)nnc1SCCc1ccccc1)c3s2

InChI

InChI=1S/C22H24N4OS3/c1-4-22(2)12-15-16(13-27-22)30-19-17(15)18-24-25-21(26(18)20(23-19)28-3)29-11-10-14-8-6-5-7-9-14/h5-9H,4,10-13H2,1-3H3/t22-/m0/s1

InChI Key

CZDNHLWVCKQRFE-QFIPXVFZSA-N

MDL Number (MFCD)

MFCD03681803

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

456.66

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

5.503

Distribution Coefficient, logD

5.503

Water Solubility, LogSw

-5.64

Polar Surface Area

42.916

Acid Dissociation Constant (pKa)

25.06

Base Dissociation Constant (pKb)

2.42

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

40.90

References: we are preparing a list of scientific research reports with 8640-0034 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8640-0034?
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What is the minimum amount of 8640-0034 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8640-0034
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8640-0034
  • 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 8640-0034 available by request