F084-0666 Screening compound: 3-(4-butyl-5-oxo-4,5-dihydrothieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-1-yl)-N~1~-(4-chlorophenyl)propanamide

F084-0666 Screening compound: 3-(4-butyl-5-oxo-4,5-dihydrothieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-1-yl)-N~1~-(4-chlorophenyl)propanamide
F084-0666 Screening compound: 3-(4-butyl-5-oxo-4,5-dihydrothieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-1-yl)-N~1~-(4-chlorophenyl)propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound F084-0666
3-(4-butyl-5-oxo-4,5-dihydrothieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-1-yl)-N~1~-(4-chlorophenyl)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

F084-0666

Molecular Formula

C20H20ClN5O2S (C20 H20 ClN5 O2 S)

Compound Name

3-(4-butyl-5-oxo-4,5-dihydrothieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-1-yl)-N~1~-(4-chlorophenyl)propanamide

IUPAC name

3-{8-butyl-7-oxo-5-thia-181011-tetraazatricyclo[7.3.0.0^{26}]dodeca-2(6)3911-tetraen-12-yl}-N-(4-chlorophenyl)propanamide

SMILES

CCCCN(c1nnc(CCC(Nc(cc2)ccc2Cl)=O)n1-c1c2scc1)C2=O

InChI

InChI=1S/C20H20ClN5O2S/c1-2-3-11-25-19(28)18-15(10-12-29-18)26-16(23-24-20(25)26)8-9-17(27)22-14-6-4-13(21)5-7-14/h4-7,10,12H,2-3,8-9,11H2,1H3,(H,22,27)

InChI Key

XMDVQFAOTSGJQI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27100804

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

429.93

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.668

Distribution Coefficient, logD

3.668

Water Solubility, LogSw

-4.06

Polar Surface Area

64.124

Acid Dissociation Constant (pKa)

10.72

Base Dissociation Constant (pKb)

-0.03

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

30.00

F084-0666 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 F084-0666 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F084-0666?
Check Price and Availability of F084-0666, 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 F084-0666 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F084-0666
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F084-0666
  • 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 F084-0666 available by request