F084-0381 Screening compound: N~1~-(4-methoxybenzyl)-3-(5-oxo-4-pentyl-4,5-dihydrothieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-1-yl)propanamide
Chemical Structure Depiction of ChemDiv screening compound F084-0381
N~1~-(4-methoxybenzyl)-3-(5-oxo-4-pentyl-4,5-dihydrothieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-1-yl)propanamide
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
F084-0381
Molecular Formula
C23H27N5O3S (C23 H27 N5 O3 S)
Compound Name
N~1~-(4-methoxybenzyl)-3-(5-oxo-4-pentyl-4,5-dihydrothieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-1-yl)propanamide
IUPAC name
N-[(4-methoxyphenyl)methyl]-3-{7-oxo-8-pentyl-5-thia-181011-tetraazatricyclo[7.3.0.0^{26}]dodeca-2(6)3911-tetraen-12-yl}propanamide
SMILES
CCCCCN(c1nnc(CCC(NCc(cc2)ccc2OC)=O)n1-c1c2scc1)C2=O
InChI Key
MDL Number (MFCD)
Chemical and Physical Properties
Saltdata
n/a
Molecular Weight
453.57
Hydrogen Bond Acceptors Count
7.00
Hydrogen Bond Donors Count
1.00
Rotatable Bond Count
11.00
Number of Nitrogen and Oxygen Atoms
8
Partition Coefficient, logP
3.403
Distribution Coefficient, logD
3.403
Water Solubility, LogSw
-3.68
Polar Surface Area
72.990
Acid Dissociation Constant (pKa)
14.01
Base Dissociation Constant (pKb)
-1.94
Number of Chiral Centers
0.00
Percent sp3 carbon bonding
39.10
F084-0381 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
- PPI modulators
- Receptor's ligands
- Immune system
References: we are preparing a list of scientific research reports with F084-0381 chemical compound. It will be published here after verification.
Frequently Asked Questions
Check Price and Availability of F084-0381, 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.
Available from 1 mg in Glass Vials or 96-tube racks.
ChemDiv sends parcels with Express services (UPS, WC).
- 1–2 days for small orders
- 2–4 weeks for large selections
- 0.5–50 mg of dry powder sample in single glass vials, custom vials
- DMSO solutions frozen 10μl–250μl@10mM (96 and 384 format)