F396-0638 Screening compound: 3-(2-ethoxybenzyl)-2-[(2-oxo-2-piperidinoethyl)sulfanyl]pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-4(3H)-one

F396-0638 Screening compound: 3-(2-ethoxybenzyl)-2-[(2-oxo-2-piperidinoethyl)sulfanyl]pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-4(3H)-one
F396-0638 Screening compound: 3-(2-ethoxybenzyl)-2-[(2-oxo-2-piperidinoethyl)sulfanyl]pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-4(3H)-one alternative view

Chemical Structure Depiction of ChemDiv screening compound F396-0638
3-(2-ethoxybenzyl)-2-[(2-oxo-2-piperidinoethyl)sulfanyl]pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-4(3H)-one

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

F396-0638

Molecular Formula

C25H26N4O3S2 (C25 H26 N4 O3 S2)

Compound Name

3-(2-ethoxybenzyl)-2-[(2-oxo-2-piperidinoethyl)sulfanyl]pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-4(3H)-one

IUPAC name

5-[(2-ethoxyphenyl)methyl]-4-{[2-oxo-2-(piperidin-1-yl)ethyl]sulfanyl}-8-thia-3510-triazatricyclo[7.4.0.0^{27}]trideca-1(9)2(7)31012-pentaen-6-one

SMILES

CCOc1c(CN(C2=O)C(SCC(N3CCCCC3)=O)=Nc3c2sc2ncccc23)cccc1

InChI

InChI=1S/C25H26N4O3S2/c1-2-32-19-11-5-4-9-17(19)15-29-24(31)22-21(18-10-8-12-26-23(18)34-22)27-25(29)33-16-20(30)28-13-6-3-7-14-28/h4-5,8-12H,2-3,6-7,13-16H2,1H3

InChI Key

YHNGKKPJYRYZRK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27122855

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

494.64

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.255

Distribution Coefficient, logD

4.255

Water Solubility, LogSw

-4.05

Polar Surface Area

57.274

Acid Dissociation Constant (pKa)

28.03

Base Dissociation Constant (pKb)

2.70

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

36.00

References: we are preparing a list of scientific research reports with F396-0638 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F396-0638?
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What is the minimum amount of F396-0638 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F396-0638
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F396-0638
  • 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 F396-0638 available by request