F816-0466 Screening compound: 4-(2-ethoxybenzyl)-2-(4-methylbenzyl)-2,4-dihydrothieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidine-1,5-dione

F816-0466 Screening compound: 4-(2-ethoxybenzyl)-2-(4-methylbenzyl)-2,4-dihydrothieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidine-1,5-dione
F816-0466 Screening compound: 4-(2-ethoxybenzyl)-2-(4-methylbenzyl)-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 F816-0466
4-(2-ethoxybenzyl)-2-(4-methylbenzyl)-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

F816-0466

Molecular Formula

C24H22N4O3S (C24 H22 N4 O3 S)

Compound Name

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

IUPAC name

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

SMILES

CCOc1c(CN(C(N2c3c4scc3)=NN(Cc3ccc(C)cc3)C2=O)C4=O)cccc1

InChI

InChI=1S/C24H22N4O3S/c1-3-31-20-7-5-4-6-18(20)15-26-22(29)21-19(12-13-32-21)28-23(26)25-27(24(28)30)14-17-10-8-16(2)9-11-17/h4-13H,3,14-15H2,1-2H3

InChI Key

QGEMFZREUXKCDM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27194546

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

446.53

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.813

Distribution Coefficient, logD

4.813

Water Solubility, LogSw

-4.51

Polar Surface Area

56.164

Acid Dissociation Constant (pKa)

23.82

Base Dissociation Constant (pKb)

-0.76

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.80

References: we are preparing a list of scientific research reports with F816-0466 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F816-0466?
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What is the minimum amount of F816-0466 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F816-0466
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F816-0466
  • 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 F816-0466 available by request