F798-0384 Screening compound: methyl 4-({2-[(4-butyl-5-oxo-4,5-dihydrothieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-1-yl)sulfanyl]acetyl}amino)benzoate

F798-0384 Screening compound: methyl 4-({2-[(4-butyl-5-oxo-4,5-dihydrothieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-1-yl)sulfanyl]acetyl}amino)benzoate
F798-0384 Screening compound: methyl 4-({2-[(4-butyl-5-oxo-4,5-dihydrothieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-1-yl)sulfanyl]acetyl}amino)benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound F798-0384
methyl 4-({2-[(4-butyl-5-oxo-4,5-dihydrothieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-1-yl)sulfanyl]acetyl}amino)benzoate

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

F798-0384

Molecular Formula

C21H21N5O4S2 (C21 H21 N5 O4 S2)

Compound Name

methyl 4-({2-[(4-butyl-5-oxo-4,5-dihydrothieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-1-yl)sulfanyl]acetyl}amino)benzoate

IUPAC name

methyl 4-[2-({8-butyl-7-oxo-5-thia-181011-tetraazatricyclo[7.3.0.0^{26}]dodeca-2(6)3911-tetraen-12-yl}sulfanyl)acetamido]benzoate

SMILES

CCCCN(c(n1-c2c3scc2)nnc1SCC(Nc(cc1)ccc1C(OC)=O)=O)C3=O

InChI

InChI=1S/C21H21N5O4S2/c1-3-4-10-25-18(28)17-15(9-11-31-17)26-20(25)23-24-21(26)32-12-16(27)22-14-7-5-13(6-8-14)19(29)30-2/h5-9,11H,3-4,10,12H2,1-2H3,(H,22,27)

InChI Key

CVBBCXWMGLZPDI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27191431

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

471.56

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

3.860

Distribution Coefficient, logD

3.860

Water Solubility, LogSw

-3.88

Polar Surface Area

84.904

Acid Dissociation Constant (pKa)

11.20

Base Dissociation Constant (pKb)

-1.10

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

28.60

F798-0384 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

Protein-Protein Interaction Library (218420 compounds)

Chemokine Receptor-Targeted Library (18382 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with F798-0384 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F798-0384?
Check Price and Availability of F798-0384, 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 F798-0384 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F798-0384
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F798-0384
  • 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 F798-0384 available by request