F399-0685 Screening compound: 3-(4-methylbenzyl)-2-[(4-methylbenzyl)sulfanyl]pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-4(3H)-one

F399-0685 Screening compound: 3-(4-methylbenzyl)-2-[(4-methylbenzyl)sulfanyl]pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-4(3H)-one
F399-0685 Screening compound: 3-(4-methylbenzyl)-2-[(4-methylbenzyl)sulfanyl]pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-4(3H)-one alternative view

Chemical Structure Depiction of ChemDiv screening compound F399-0685
3-(4-methylbenzyl)-2-[(4-methylbenzyl)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

F399-0685

Molecular Formula

C25H21N3OS2 (C25 H21 N3 OS2)

Compound Name

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

IUPAC name

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

SMILES

Cc1ccc(CN(C2=O)C(SCc3ccc(C)cc3)=Nc3c2sc2ncccc23)cc1

InChI

InChI=1S/C25H21N3OS2/c1-16-5-9-18(10-6-16)14-28-24(29)22-21(20-4-3-13-26-23(20)31-22)27-25(28)30-15-19-11-7-17(2)8-12-19/h3-13H,14-15H2,1-2H3

InChI Key

BQGGULRXRXHCIA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27123744

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

443.59

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

5.823

Distribution Coefficient, logD

5.823

Water Solubility, LogSw

-5.58

Polar Surface Area

33.671

Acid Dissociation Constant (pKa)

28.80

Base Dissociation Constant (pKb)

2.70

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.00

References: we are preparing a list of scientific research reports with F399-0685 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F399-0685?
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What is the minimum amount of F399-0685 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F399-0685
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F399-0685
  • 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 F399-0685 available by request