F409-0336 Screening compound: 2-({4-amino-5-[(5-bromothiophen-2-yl)sulfonyl]pyrimidin-2-yl}sulfanyl)-1-(piperidin-1-yl)ethan-1-one

F409-0336 Screening compound: 2-({4-amino-5-[(5-bromothiophen-2-yl)sulfonyl]pyrimidin-2-yl}sulfanyl)-1-(piperidin-1-yl)ethan-1-one
F409-0336 Screening compound: 2-({4-amino-5-[(5-bromothiophen-2-yl)sulfonyl]pyrimidin-2-yl}sulfanyl)-1-(piperidin-1-yl)ethan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound F409-0336
2-({4-amino-5-[(5-bromothiophen-2-yl)sulfonyl]pyrimidin-2-yl}sulfanyl)-1-(piperidin-1-yl)ethan-1-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

F409-0336

Molecular Formula

C15H17BrN4O3S3 (C15 H17 BrN4 O3 S3)

Compound Name

2-({4-amino-5-[(5-bromothiophen-2-yl)sulfonyl]pyrimidin-2-yl}sulfanyl)-1-(piperidin-1-yl)ethan-1-one

IUPAC name

2-({4-amino-5-[(5-bromothiophen-2-yl)sulfonyl]pyrimidin-2-yl}sulfanyl)-1-(piperidin-1-yl)ethan-1-one

SMILES

Nc(nc(nc1)SCC(N2CCCCC2)=O)c1S(c(s1)ccc1Br)(=O)=O

InChI

InChI=1S/C15H17BrN4O3S3/c16-11-4-5-13(25-11)26(22,23)10-8-18-15(19-14(10)17)24-9-12(21)20-6-2-1-3-7-20/h4-5,8H,1-3,6-7,9H2,(H2,17,18,19)

InChI Key

XULRMNIRSFIBAF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27125888

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

477.43

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.441

Distribution Coefficient, logD

2.441

Water Solubility, LogSw

-2.58

Polar Surface Area

85.390

Acid Dissociation Constant (pKa)

17.70

Base Dissociation Constant (pKb)

5.38

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

40.00

F409-0336 in Drug Discovery

Included in Screening Libraries

C-Met Library (15277 compounds)

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Endocrine
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • Kinases
  • Phosphatases
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with F409-0336 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F409-0336?
Check Price and Availability of F409-0336, 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 F409-0336 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F409-0336
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F409-0336
  • 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 F409-0336 available by request