5627-0129 Screening compound: 1-(isopentylsulfanyl)-4-(3-methylphenyl)-6,7,8,9-tetrahydro[1]benzothieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-5(4H)-one

5627-0129 Screening compound: 1-(isopentylsulfanyl)-4-(3-methylphenyl)-6,7,8,9-tetrahydro[1]benzothieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-5(4H)-one
5627-0129 Screening compound: 1-(isopentylsulfanyl)-4-(3-methylphenyl)-6,7,8,9-tetrahydro[1]benzothieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-5(4H)-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 5627-0129
1-(isopentylsulfanyl)-4-(3-methylphenyl)-6,7,8,9-tetrahydro[1]benzothieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-5(4H)-one

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

5627-0129

Molecular Formula

C23H26N4OS2 (C23 H26 N4 OS2)

Compound Name

1-(isopentylsulfanyl)-4-(3-methylphenyl)-6,7,8,9-tetrahydro[1]benzothieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-5(4H)-one

IUPAC name

3-[(3-methylbutyl)sulfanyl]-7-(3-methylphenyl)-16-thia-2457-tetraazatetracyclo[7.7.0.0^{26}.0^{1015}]hexadeca-1(9)3510(15)-tetraen-8-one

SMILES

CC(C)CCSc(n1-c2c3c(CCCC4)c4s2)nnc1N(c1cc(C)ccc1)C3=O

InChI

InChI=1S/C23H26N4OS2/c1-14(2)11-12-29-23-25-24-22-26(16-8-6-7-15(3)13-16)20(28)19-17-9-4-5-10-18(17)30-21(19)27(22)23/h6-8,13-14H,4-5,9-12H2,1-3H3

InChI Key

DPLIAIACMGKEEY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03827686

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

438.62

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.868

Distribution Coefficient, logD

5.868

Water Solubility, LogSw

-5.40

Polar Surface Area

39.344

Acid Dissociation Constant (pKa)

24.24

Base Dissociation Constant (pKb)

0.02

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

43.50

5627-0129 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Allosteric Kinases Inhibitors Library (23117 compounds)

Antiviral Library (67538 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Cancer
  • Female
  • Congenital
  • Skin
  • Antiviral
  • Infections
  • Immune system
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with 5627-0129 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5627-0129?
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What is the minimum amount of 5627-0129 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5627-0129
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5627-0129
  • 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 5627-0129 available by request