F816-0495 Screening compound: 4-(3,4-diethoxybenzyl)-2-(4-fluorobenzyl)-2,4-dihydrothieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidine-1,5-dione

F816-0495 Screening compound: 4-(3,4-diethoxybenzyl)-2-(4-fluorobenzyl)-2,4-dihydrothieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidine-1,5-dione
F816-0495 Screening compound: 4-(3,4-diethoxybenzyl)-2-(4-fluorobenzyl)-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 F816-0495
4-(3,4-diethoxybenzyl)-2-(4-fluorobenzyl)-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

F816-0495

Molecular Formula

C25H23FN4O4S (C25 H23 FN4 O4 S)

Compound Name

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

IUPAC name

8-[(34-diethoxyphenyl)methyl]-11-[(4-fluorophenyl)methyl]-5-thia-181011-tetraazatricyclo[7.3.0.0^{26}]dodeca-2(6)39-triene-712-dione

SMILES

CCOc(ccc(CN(C(N1c2c3scc2)=NN(Cc(cc2)ccc2F)C1=O)C3=O)c1)c1OCC

InChI

InChI=1S/C25H23FN4O4S/c1-3-33-20-10-7-17(13-21(20)34-4-2)14-28-23(31)22-19(11-12-35-22)30-24(28)27-29(25(30)32)15-16-5-8-18(26)9-6-16/h5-13H,3-4,14-15H2,1-2H3

InChI Key

SQQBZUGVMRTBSR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27194568

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

494.55

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.142

Distribution Coefficient, logD

4.142

Water Solubility, LogSw

-4.23

Polar Surface Area

63.374

Acid Dissociation Constant (pKa)

23.35

Base Dissociation Constant (pKb)

-0.63

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

24.00

References: we are preparing a list of scientific research reports with F816-0495 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F816-0495?
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What is the minimum amount of F816-0495 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F816-0495
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F816-0495
  • 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 F816-0495 available by request