8640-0027 Screening compound: methyl 2-{[10,10-dimethyl-5-(propylsulfanyl)-10,11-dihydro-8H-pyrano[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidin-3-yl]sulfanyl}acetate

8640-0027 Screening compound: methyl 2-{[10,10-dimethyl-5-(propylsulfanyl)-10,11-dihydro-8H-pyrano[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidin-3-yl]sulfanyl}acetate
8640-0027 Screening compound: methyl 2-{[10,10-dimethyl-5-(propylsulfanyl)-10,11-dihydro-8H-pyrano[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidin-3-yl]sulfanyl}acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8640-0027
methyl 2-{[10,10-dimethyl-5-(propylsulfanyl)-10,11-dihydro-8H-pyrano[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidin-3-yl]sulfanyl}acetate

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

8640-0027

Molecular Formula

C18H22N4O3S3 (C18 H22 N4 O3 S3)

Compound Name

methyl 2-{[10,10-dimethyl-5-(propylsulfanyl)-10,11-dihydro-8H-pyrano[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidin-3-yl]sulfanyl}acetate

IUPAC name

methyl 2-{[1414-dimethyl-7-(propylsulfanyl)-13-oxa-10-thia-3468-tetraazatetracyclo[7.7.0.0^{26}.0^{1116}]hexadeca-1(9)24711(16)-pentaen-5-yl]sulfanyl}acetate

SMILES

CCCSc(n12)nc(sc3c4CC(C)(C)OC3)c4c2nnc1SCC(OC)=O

InChI

InChI=1S/C18H22N4O3S3/c1-5-6-26-16-19-15-13(10-7-18(2,3)25-8-11(10)28-15)14-20-21-17(22(14)16)27-9-12(23)24-4/h5-9H2,1-4H3

InChI Key

WNANHUOIKZNVHM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04021844

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

438.6

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.649

Distribution Coefficient, logD

3.649

Water Solubility, LogSw

-4.06

Polar Surface Area

63.572

Acid Dissociation Constant (pKa)

19.26

Base Dissociation Constant (pKb)

2.62

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

55.60

8640-0027 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with 8640-0027 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8640-0027?
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What is the minimum amount of 8640-0027 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8640-0027
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8640-0027
  • 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 8640-0027 available by request