F396-1067 Screening compound: 2-[(3-butyl-4-oxo-3,4-dihydropyrido[3',2':4,5]thieno[3,2-d]pyrimidin-2-yl)sulfanyl]-N~1~-mesitylacetamide

F396-1067 Screening compound: 2-[(3-butyl-4-oxo-3,4-dihydropyrido[3',2':4,5]thieno[3,2-d]pyrimidin-2-yl)sulfanyl]-N~1~-mesitylacetamide
F396-1067 Screening compound: 2-[(3-butyl-4-oxo-3,4-dihydropyrido[3',2':4,5]thieno[3,2-d]pyrimidin-2-yl)sulfanyl]-N~1~-mesitylacetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound F396-1067
2-[(3-butyl-4-oxo-3,4-dihydropyrido[3',2':4,5]thieno[3,2-d]pyrimidin-2-yl)sulfanyl]-N~1~-mesitylacetamide

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

F396-1067

Molecular Formula

C24H26N4O2S2 (C24 H26 N4 O2 S2)

Compound Name

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

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-(246-trimethylphenyl)acetamide

SMILES

CCCCN(C1=O)C(SCC(Nc2c(C)cc(C)cc2C)=O)=Nc2c1sc1ncccc12

InChI

InChI=1S/C24H26N4O2S2/c1-5-6-10-28-23(30)21-20(17-8-7-9-25-22(17)32-21)27-24(28)31-13-18(29)26-19-15(3)11-14(2)12-16(19)4/h7-9,11-12H,5-6,10,13H2,1-4H3,(H,26,29)

InChI Key

XCISHLZDABBSFK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27123095

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

466.63

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.827

Distribution Coefficient, logD

4.827

Water Solubility, LogSw

-4.70

Polar Surface Area

55.675

Acid Dissociation Constant (pKa)

12.42

Base Dissociation Constant (pKb)

2.70

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

F396-1067 in Drug Discovery

Included in Screening Libraries

BRD4 Targeted Library (4534 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Hemic and lymphatic
  • Cardiovascular
  • Metabolic
Targets:
  • Others

References: we are preparing a list of scientific research reports with F396-1067 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F396-1067?
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What is the minimum amount of F396-1067 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F396-1067
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F396-1067
  • 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 F396-1067 available by request