F399-0672 Screening compound: 3-(4-methylbenzyl)-2-{[2-oxo-2-(2,4,5-trimethylphenyl)ethyl]sulfanyl}pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-4(3H)-one

F399-0672 Screening compound: 3-(4-methylbenzyl)-2-{[2-oxo-2-(2,4,5-trimethylphenyl)ethyl]sulfanyl}pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-4(3H)-one
F399-0672 Screening compound: 3-(4-methylbenzyl)-2-{[2-oxo-2-(2,4,5-trimethylphenyl)ethyl]sulfanyl}pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-4(3H)-one alternative view

Chemical Structure Depiction of ChemDiv screening compound F399-0672
3-(4-methylbenzyl)-2-{[2-oxo-2-(2,4,5-trimethylphenyl)ethyl]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

F399-0672

Molecular Formula

C28H25N3O2S2 (C28 H25 N3 O2 S2)

Compound Name

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

IUPAC name

5-[(4-methylphenyl)methyl]-4-{[2-oxo-2-(245-trimethylphenyl)ethyl]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(SCC(c3c(C)cc(C)c(C)c3)=O)=Nc3c2sc2ncccc23)cc1

InChI

InChI=1S/C28H25N3O2S2/c1-16-7-9-20(10-8-16)14-31-27(33)25-24(21-6-5-11-29-26(21)35-25)30-28(31)34-15-23(32)22-13-18(3)17(2)12-19(22)4/h5-13H,14-15H2,1-4H3

InChI Key

CJMSNGHOSQMJOJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27123731

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

499.66

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

6.798

Distribution Coefficient, logD

6.798

Water Solubility, LogSw

-5.71

Polar Surface Area

46.918

Acid Dissociation Constant (pKa)

27.26

Base Dissociation Constant (pKb)

2.70

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

21.40

References: we are preparing a list of scientific research reports with F399-0672 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F399-0672?
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What is the minimum amount of F399-0672 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F399-0672
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F399-0672
  • 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 F399-0672 available by request