8019-5966 Screening compound: 11,12-dihydro-10H-cyclopenta[4,5]thieno[3,2-e]di[1,2,4]triazolo[4,3-a:1,5-c]pyrimidin-7-yl methyl sulfide

8019-5966 Screening compound: 11,12-dihydro-10H-cyclopenta[4,5]thieno[3,2-e]di[1,2,4]triazolo[4,3-a:1,5-c]pyrimidin-7-yl methyl sulfide
8019-5966 Screening compound: 11,12-dihydro-10H-cyclopenta[4,5]thieno[3,2-e]di[1,2,4]triazolo[4,3-a:1,5-c]pyrimidin-7-yl methyl sulfide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8019-5966
11,12-dihydro-10H-cyclopenta[4,5]thieno[3,2-e]di[1,2,4]triazolo[4,3-a:1,5-c]pyrimidin-7-yl methyl 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

8019-5966

Molecular Formula

C12H10N6S2 (C12 H10 N6 S2)

Compound Name

11,12-dihydro-10H-cyclopenta[4,5]thieno[3,2-e]di[1,2,4]triazolo[4,3-a:1,5-c]pyrimidin-7-yl methyl sulfide

IUPAC name

3-(methylsulfanyl)-18-thia-2457810-hexaazapentacyclo[10.6.0.0^{26}.0^{711}.0^{1317}]octadeca-1(12)3581013(17)-hexaene

SMILES

CSc(n12)nnc1n1ncnc1c1c2sc2c1CCC2

InChI

InChI=1S/C12H10N6S2/c1-19-12-16-15-11-17(12)10-8(9-13-5-14-18(9)11)6-3-2-4-7(6)20-10/h5H,2-4H2,1H3

InChI Key

OBQGXPOVWRXPLY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05682512

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

302.38

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

1.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.180

Distribution Coefficient, logD

2.165

Water Solubility, LogSw

-1.96

Polar Surface Area

46.599

Acid Dissociation Constant (pKa)

21.18

Base Dissociation Constant (pKb)

5.94

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

8019-5966 in Drug Discovery

Included in Screening Libraries

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

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with 8019-5966 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8019-5966?
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What is the minimum amount of 8019-5966 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8019-5966
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8019-5966
  • 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 8019-5966 available by request