4819-0810 Screening compound: pentyl 2-[(2,3-dimethyl-4-oxo-5-phenyl-4,5-dihydrothieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-8-yl)sulfanyl]acetate

4819-0810 Screening compound: pentyl 2-[(2,3-dimethyl-4-oxo-5-phenyl-4,5-dihydrothieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-8-yl)sulfanyl]acetate
4819-0810 Screening compound: pentyl 2-[(2,3-dimethyl-4-oxo-5-phenyl-4,5-dihydrothieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-8-yl)sulfanyl]acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound 4819-0810
pentyl 2-[(2,3-dimethyl-4-oxo-5-phenyl-4,5-dihydrothieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-8-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

4819-0810

Molecular Formula

C22H24N4O3S2 (C22 H24 N4 O3 S2)

Compound Name

pentyl 2-[(2,3-dimethyl-4-oxo-5-phenyl-4,5-dihydrothieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-8-yl)sulfanyl]acetate

IUPAC name

pentyl 2-({45-dimethyl-7-oxo-8-phenyl-3-thia-181011-tetraazatricyclo[7.3.0.0^{26}]dodeca-2(6)4911-tetraen-12-yl}sulfanyl)acetate

SMILES

CCCCCOC(CSc(n1-c2c3c(C)c(C)s2)nnc1N(c1ccccc1)C3=O)=O

InChI

InChI=1S/C22H24N4O3S2/c1-4-5-9-12-29-17(27)13-30-22-24-23-21-25(16-10-7-6-8-11-16)19(28)18-14(2)15(3)31-20(18)26(21)22/h6-8,10-11H,4-5,9,12-13H2,1-3H3

InChI Key

FAMXHIWOTQQRIV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02631157

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

456.59

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.832

Distribution Coefficient, logD

4.832

Water Solubility, LogSw

-4.65

Polar Surface Area

59.877

Acid Dissociation Constant (pKa)

19.90

Base Dissociation Constant (pKb)

-1.37

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

36.40

4819-0810 in Drug Discovery

Included in Screening Libraries

Protein-Protein Interaction Library (218420 compounds)

Chemokine Receptor-Targeted Library (18382 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • Receptor's ligands
Therapeutical areas:
  • Immune system

References: we are preparing a list of scientific research reports with 4819-0810 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4819-0810?
Check Price and Availability of 4819-0810, 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 4819-0810 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4819-0810
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4819-0810
  • 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 4819-0810 available by request