F399-0544 Screening compound: 2-(benzylsulfanyl)-3-(4-propoxybenzyl)pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-4(3H)-one

F399-0544 Screening compound: 2-(benzylsulfanyl)-3-(4-propoxybenzyl)pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-4(3H)-one
F399-0544 Screening compound: 2-(benzylsulfanyl)-3-(4-propoxybenzyl)pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-4(3H)-one alternative view

Chemical Structure Depiction of ChemDiv screening compound F399-0544
2-(benzylsulfanyl)-3-(4-propoxybenzyl)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

F399-0544

Molecular Formula

C26H23N3O2S2 (C26 H23 N3 O2 S2)

Compound Name

2-(benzylsulfanyl)-3-(4-propoxybenzyl)pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-4(3H)-one

IUPAC name

4-(benzylsulfanyl)-5-[(4-propoxyphenyl)methyl]-8-thia-3510-triazatricyclo[7.4.0.0^{27}]trideca-1(9)2(7)31012-pentaen-6-one

SMILES

CCCOc1ccc(CN(C2=O)C(SCc3ccccc3)=Nc3c2sc2ncccc23)cc1

InChI

InChI=1S/C26H23N3O2S2/c1-2-15-31-20-12-10-18(11-13-20)16-29-25(30)23-22(21-9-6-14-27-24(21)33-23)28-26(29)32-17-19-7-4-3-5-8-19/h3-14H,2,15-17H2,1H3

InChI Key

VSGNHPGLGBMRRB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27123665

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

473.62

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.936

Distribution Coefficient, logD

5.936

Water Solubility, LogSw

-5.62

Polar Surface Area

41.089

Acid Dissociation Constant (pKa)

27.49

Base Dissociation Constant (pKb)

2.70

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

19.20

References: we are preparing a list of scientific research reports with F399-0544 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F399-0544?
Check Price and Availability of F399-0544, 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 F399-0544 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F399-0544
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F399-0544
  • 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 F399-0544 available by request