F816-0129 Screening compound: 4-butyl-2-[3-(trifluoromethyl)benzyl]-2,4-dihydrothieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidine-1,5-dione

F816-0129 Screening compound: 4-butyl-2-[3-(trifluoromethyl)benzyl]-2,4-dihydrothieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidine-1,5-dione
F816-0129 Screening compound: 4-butyl-2-[3-(trifluoromethyl)benzyl]-2,4-dihydrothieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidine-1,5-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound F816-0129
4-butyl-2-[3-(trifluoromethyl)benzyl]-2,4-dihydrothieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidine-1,5-dione

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

F816-0129

Molecular Formula

C19H17F3N4O2S (C19 H17 F3 N4 O2 S)

Compound Name

4-butyl-2-[3-(trifluoromethyl)benzyl]-2,4-dihydrothieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidine-1,5-dione

IUPAC name

8-butyl-11-{[3-(trifluoromethyl)phenyl]methyl}-5-thia-181011-tetraazatricyclo[7.3.0.0^{26}]dodeca-2(6)39-triene-712-dione

SMILES

CCCCN(C(N1c2c3scc2)=NN(Cc2cc(C(F)(F)F)ccc2)C1=O)C3=O

InChI

InChI=1S/C19H17F3N4O2S/c1-2-3-8-24-16(27)15-14(7-9-29-15)26-17(24)23-25(18(26)28)11-12-5-4-6-13(10-12)19(20,21)22/h4-7,9-10H,2-3,8,11H2,1H3

InChI Key

NCSGOPOIPKQJCY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27194371

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

422.43

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.468

Distribution Coefficient, logD

4.468

Water Solubility, LogSw

-4.25

Polar Surface Area

49.204

Acid Dissociation Constant (pKa)

23.82

Base Dissociation Constant (pKb)

-0.94

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

31.58

F816-0129 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with F816-0129 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F816-0129?
Check Price and Availability of F816-0129, 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 F816-0129 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F816-0129
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F816-0129
  • 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 F816-0129 available by request