F399-0325 Screening compound: 3-(1,3-benzodioxol-5-ylmethyl)-2-(benzylsulfanyl)pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-4(3H)-one

F399-0325 Screening compound: 3-(1,3-benzodioxol-5-ylmethyl)-2-(benzylsulfanyl)pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-4(3H)-one
F399-0325 Screening compound: 3-(1,3-benzodioxol-5-ylmethyl)-2-(benzylsulfanyl)pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-4(3H)-one alternative view

Chemical Structure Depiction of ChemDiv screening compound F399-0325
3-(1,3-benzodioxol-5-ylmethyl)-2-(benzylsulfanyl)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

F399-0325

Molecular Formula

C24H17N3O3S2 (C24 H17 N3 O3 S2)

Compound Name

3-(1,3-benzodioxol-5-ylmethyl)-2-(benzylsulfanyl)pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-4(3H)-one

IUPAC name

5-[(2H-13-benzodioxol-5-yl)methyl]-4-(benzylsulfanyl)-8-thia-3510-triazatricyclo[7.4.0.0^{27}]trideca-1(9)2(7)31012-pentaen-6-one

SMILES

O=C1N(Cc(cc2)cc3c2OCO3)C(SCc2ccccc2)=Nc2c1sc1ncccc12

InChI

InChI=1S/C24H17N3O3S2/c28-23-21-20(17-7-4-10-25-22(17)32-21)26-24(31-13-15-5-2-1-3-6-15)27(23)12-16-8-9-18-19(11-16)30-14-29-18/h1-11H,12-14H2

InChI Key

FCLAWRDYNWHJHF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27123561

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

459.55

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.848

Distribution Coefficient, logD

4.848

Water Solubility, LogSw

-5.14

Polar Surface Area

50.787

Acid Dissociation Constant (pKa)

31.68

Base Dissociation Constant (pKb)

2.70

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

12.50

F399-0325 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system

References: we are preparing a list of scientific research reports with F399-0325 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F399-0325?
Check Price and Availability of F399-0325, 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 F399-0325 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F399-0325
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F399-0325
  • 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 F399-0325 available by request