F084-0737 Screening compound: ethyl 4-[3-(4-butyl-5-oxo-4,5-dihydrothieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-1-yl)propanoyl]tetrahydro-1(2H)-pyrazinecarboxylate

F084-0737 Screening compound: ethyl 4-[3-(4-butyl-5-oxo-4,5-dihydrothieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-1-yl)propanoyl]tetrahydro-1(2H)-pyrazinecarboxylate
F084-0737 Screening compound: ethyl 4-[3-(4-butyl-5-oxo-4,5-dihydrothieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-1-yl)propanoyl]tetrahydro-1(2H)-pyrazinecarboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound F084-0737
ethyl 4-[3-(4-butyl-5-oxo-4,5-dihydrothieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-1-yl)propanoyl]tetrahydro-1(2H)-pyrazinecarboxylate

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

F084-0737

Molecular Formula

C21H28N6O4S (C21 H28 N6 O4 S)

Compound Name

ethyl 4-[3-(4-butyl-5-oxo-4,5-dihydrothieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-1-yl)propanoyl]tetrahydro-1(2H)-pyrazinecarboxylate

IUPAC name

ethyl 4-(3-{8-butyl-7-oxo-5-thia-181011-tetraazatricyclo[7.3.0.0^{26}]dodeca-2(6)3911-tetraen-12-yl}propanoyl)piperazine-1-carboxylate

SMILES

CCCCN(c1nnc(CCC(N(CC2)CCN2C(OCC)=O)=O)n1-c1c2scc1)C2=O

InChI

InChI=1S/C21H28N6O4S/c1-3-5-9-26-19(29)18-15(8-14-32-18)27-16(22-23-20(26)27)6-7-17(28)24-10-12-25(13-11-24)21(30)31-4-2/h8,14H,3-7,9-13H2,1-2H3

InChI Key

KFKSOCJKVBEXSL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27100843

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

460.56

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

1.904

Distribution Coefficient, logD

1.904

Water Solubility, LogSw

-2.30

Polar Surface Area

80.147

Acid Dissociation Constant (pKa)

23.63

Base Dissociation Constant (pKb)

3.52

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

57.10

F084-0737 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with F084-0737 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F084-0737?
Check Price and Availability of F084-0737, 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 F084-0737 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F084-0737
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F084-0737
  • 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 F084-0737 available by request