5627-0046 Screening compound: 1-(hexylsulfanyl)-4,7,7-trimethyl-6,9-dihydro-7H-pyrano[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-5(4H)-one

5627-0046 Screening compound: 1-(hexylsulfanyl)-4,7,7-trimethyl-6,9-dihydro-7H-pyrano[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-5(4H)-one
5627-0046 Screening compound: 1-(hexylsulfanyl)-4,7,7-trimethyl-6,9-dihydro-7H-pyrano[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-5(4H)-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 5627-0046
1-(hexylsulfanyl)-4,7,7-trimethyl-6,9-dihydro-7H-pyrano[4',3':4,5]thieno[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

5627-0046

Molecular Formula

C19H26N4O2S2 (C19 H26 N4 O2 S2)

Compound Name

1-(hexylsulfanyl)-4,7,7-trimethyl-6,9-dihydro-7H-pyrano[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-5(4H)-one

IUPAC name

3-(hexylsulfanyl)-71212-trimethyl-13-oxa-16-thia-2457-tetraazatetracyclo[7.7.0.0^{26}.0^{1015}]hexadeca-1(9)3510(15)-tetraen-8-one

SMILES

CCCCCCSc(n1-c2c3c(CC(C)(C)OC4)c4s2)nnc1N(C)C3=O

InChI

InChI=1S/C19H26N4O2S2/c1-5-6-7-8-9-26-18-21-20-17-22(4)15(24)14-12-10-19(2,3)25-11-13(12)27-16(14)23(17)18/h5-11H2,1-4H3

InChI Key

YKUKKKDTEGFDBW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02239027

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

406.57

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

4.970

Distribution Coefficient, logD

4.970

Water Solubility, LogSw

-4.78

Polar Surface Area

47.690

Acid Dissociation Constant (pKa)

24.74

Base Dissociation Constant (pKb)

2.30

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

63.20

5627-0046 in Drug Discovery

Included in Screening Libraries

Autophagy-Targeted Library (4564 compounds)

Protein-Protein Interaction Library (218420 compounds)

Akt-Targeted Library (14764 compounds)

Chemokine Receptor-Targeted Library (18382 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Cancer
  • Digestive system
  • Respiratory tract
  • Nervous system
  • Male
  • Female
  • Cardiovascular
  • Skin
  • Metabolic
  • Immune system
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Immune system
Mechanism of action:
  • PPI modulators
  • Receptor's ligands
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with 5627-0046 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5627-0046?
Check Price and Availability of 5627-0046, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of 5627-0046 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5627-0046
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5627-0046
  • 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 5627-0046 available by request