6280-0655 Screening compound: 3,7-bis(benzylsulfanyl)-11-methyl-10,11,12,13-tetrahydro[1]benzothieno[3,2-e]di[1,2,4]triazolo[4,3-a:4,3-c]pyrimidine

6280-0655 Screening compound: 3,7-bis(benzylsulfanyl)-11-methyl-10,11,12,13-tetrahydro[1]benzothieno[3,2-e]di[1,2,4]triazolo[4,3-a:4,3-c]pyrimidine
6280-0655 Screening compound: 3,7-bis(benzylsulfanyl)-11-methyl-10,11,12,13-tetrahydro[1]benzothieno[3,2-e]di[1,2,4]triazolo[4,3-a:4,3-c]pyrimidine alternative view

Chemical Structure Depiction of ChemDiv screening compound 6280-0655
3,7-bis(benzylsulfanyl)-11-methyl-10,11,12,13-tetrahydro[1]benzothieno[3,2-e]di[1,2,4]triazolo[4,3-a: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

6280-0655

Molecular Formula

C27H24N6S3 (C27 H24 N6 S3)

Compound Name

3,7-bis(benzylsulfanyl)-11-methyl-10,11,12,13-tetrahydro[1]benzothieno[3,2-e]di[1,2,4]triazolo[4,3-a:4,3-c]pyrimidine

IUPAC name

38-bis(benzylsulfanyl)-16-methyl-19-thia-2457910-hexaazapentacyclo[10.7.0.0^{26}.0^{711}.0^{1318}]nonadeca-1(12)3581013(18)-hexaene

SMILES

CC(CC1)Cc2c1c(c(n1c(n34)nnc3SCc3ccccc3)nnc1SCc1ccccc1)c4s2

InChI

InChI=1S/C27H24N6S3/c1-17-12-13-20-21(14-17)36-24-22(20)23-28-30-26(34-15-18-8-4-2-5-9-18)32(23)25-29-31-27(33(24)25)35-16-19-10-6-3-7-11-19/h2-11,17H,12-16H2,1H3/t17-/m1/s1

InChI Key

RWWSEZVLMWAPPW-QGZVFWFLSA-N

MDL Number (MFCD)

MFCD02234419

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

528.73

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

6.129

Distribution Coefficient, logD

6.129

Water Solubility, LogSw

-6.01

Polar Surface Area

45.844

Acid Dissociation Constant (pKa)

22.75

Base Dissociation Constant (pKb)

2.92

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

25.90

6280-0655 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 6280-0655 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6280-0655?
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What is the minimum amount of 6280-0655 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6280-0655
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6280-0655
  • 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 6280-0655 available by request