F816-0097 Screening compound: 2-(2-fluorobenzyl)-4-isobutyl-2,4-dihydrothieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidine-1,5-dione

F816-0097 Screening compound: 2-(2-fluorobenzyl)-4-isobutyl-2,4-dihydrothieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidine-1,5-dione
F816-0097 Screening compound: 2-(2-fluorobenzyl)-4-isobutyl-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 F816-0097
2-(2-fluorobenzyl)-4-isobutyl-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

F816-0097

Molecular Formula

C18H17FN4O2S (C18 H17 FN4 O2 S)

Compound Name

2-(2-fluorobenzyl)-4-isobutyl-2,4-dihydrothieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidine-1,5-dione

IUPAC name

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

SMILES

CC(C)CN(C(N1c2c3scc2)=NN(Cc(cccc2)c2F)C1=O)C3=O

InChI

InChI=1S/C18H17FN4O2S/c1-11(2)9-21-16(24)15-14(7-8-26-15)23-17(21)20-22(18(23)25)10-12-5-3-4-6-13(12)19/h3-8,11H,9-10H2,1-2H3

InChI Key

YGYDEKJRAWVOIC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27194346

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

372.42

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.957

Distribution Coefficient, logD

3.957

Water Solubility, LogSw

-3.93

Polar Surface Area

49.225

Acid Dissociation Constant (pKa)

23.82

Base Dissociation Constant (pKb)

-1.27

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

27.80

F816-0097 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 F816-0097 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F816-0097?
Check Price and Availability of F816-0097, 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 F816-0097 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F816-0097
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F816-0097
  • 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 F816-0097 available by request