F396-1039 Screening compound: 2-[(3-butyl-4-oxo-3,4-dihydropyrido[3',2':4,5]thieno[3,2-d]pyrimidin-2-yl)sulfanyl]-N~1~-[3-(methylsulfanyl)phenyl]acetamide

F396-1039 Screening compound: 2-[(3-butyl-4-oxo-3,4-dihydropyrido[3',2':4,5]thieno[3,2-d]pyrimidin-2-yl)sulfanyl]-N~1~-[3-(methylsulfanyl)phenyl]acetamide
F396-1039 Screening compound: 2-[(3-butyl-4-oxo-3,4-dihydropyrido[3',2':4,5]thieno[3,2-d]pyrimidin-2-yl)sulfanyl]-N~1~-[3-(methylsulfanyl)phenyl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound F396-1039
2-[(3-butyl-4-oxo-3,4-dihydropyrido[3',2':4,5]thieno[3,2-d]pyrimidin-2-yl)sulfanyl]-N~1~-[3-(methylsulfanyl)phenyl]acetamide

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

F396-1039

Molecular Formula

C22H22N4O2S3 (C22 H22 N4 O2 S3)

Compound Name

2-[(3-butyl-4-oxo-3,4-dihydropyrido[3',2':4,5]thieno[3,2-d]pyrimidin-2-yl)sulfanyl]-N~1~-[3-(methylsulfanyl)phenyl]acetamide

IUPAC name

2-({5-butyl-6-oxo-8-thia-3510-triazatricyclo[7.4.0.0^{27}]trideca-1(9)2(7)31012-pentaen-4-yl}sulfanyl)-N-[3-(methylsulfanyl)phenyl]acetamide

SMILES

CCCCN(C1=O)C(SCC(Nc2cc(SC)ccc2)=O)=Nc2c1sc1ncccc12

InChI

InChI=1S/C22H22N4O2S3/c1-3-4-11-26-21(28)19-18(16-9-6-10-23-20(16)31-19)25-22(26)30-13-17(27)24-14-7-5-8-15(12-14)29-2/h5-10,12H,3-4,11,13H2,1-2H3,(H,24,27)

InChI Key

SXUZVNJVOQEVJW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27123087

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

470.64

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.774

Distribution Coefficient, logD

4.774

Water Solubility, LogSw

-4.70

Polar Surface Area

57.071

Acid Dissociation Constant (pKa)

12.84

Base Dissociation Constant (pKb)

2.70

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

27.30

F396-1039 in Drug Discovery

Included in Screening Libraries

PPI Inhibitors Tripeptide Mimetics (23972 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with F396-1039 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F396-1039?
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What is the minimum amount of F396-1039 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F396-1039
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F396-1039
  • 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 F396-1039 available by request