F813-1047 Screening compound: 2-{[2-(piperidin-1-yl)-[1,3]thiazolo[4,5-d]pyrimidin-7-yl]sulfanyl}-1-(1,2,3,4-tetrahydroisoquinolin-2-yl)ethan-1-one

F813-1047 Screening compound: 2-{[2-(piperidin-1-yl)-[1,3]thiazolo[4,5-d]pyrimidin-7-yl]sulfanyl}-1-(1,2,3,4-tetrahydroisoquinolin-2-yl)ethan-1-one
F813-1047 Screening compound: 2-{[2-(piperidin-1-yl)-[1,3]thiazolo[4,5-d]pyrimidin-7-yl]sulfanyl}-1-(1,2,3,4-tetrahydroisoquinolin-2-yl)ethan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound F813-1047
2-{[2-(piperidin-1-yl)-[1,3]thiazolo[4,5-d]pyrimidin-7-yl]sulfanyl}-1-(1,2,3,4-tetrahydroisoquinolin-2-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

F813-1047

Molecular Formula

C21H23N5OS2 (C21 H23 N5 OS2)

Compound Name

2-{[2-(piperidin-1-yl)-[1,3]thiazolo[4,5-d]pyrimidin-7-yl]sulfanyl}-1-(1,2,3,4-tetrahydroisoquinolin-2-yl)ethan-1-one

IUPAC name

2-{[2-(piperidin-1-yl)-[13]thiazolo[45-d]pyrimidin-7-yl]sulfanyl}-1-(1234-tetrahydroisoquinolin-2-yl)ethan-1-one

SMILES

O=C(CSc1c2sc(N3CCCCC3)nc2ncn1)N(CC1)Cc2c1cccc2

InChI

InChI=1S/C21H23N5OS2/c27-17(26-11-8-15-6-2-3-7-16(15)12-26)13-28-20-18-19(22-14-23-20)24-21(29-18)25-9-4-1-5-10-25/h2-3,6-7,14H,1,4-5,8-13H2

InChI Key

CKHQFEIZJIZRHC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27193304

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

425.58

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.343

Distribution Coefficient, logD

4.343

Water Solubility, LogSw

-4.23

Polar Surface Area

50.277

Acid Dissociation Constant (pKa)

18.41

Base Dissociation Constant (pKb)

1.90

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

42.90

F813-1047 in Drug Discovery

Included in Screening Libraries

GPCR Targeted Library (31838 compounds)

Protein-Protein Interaction Library (218420 compounds)

Chemokine Receptor-Targeted Library (18382 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
  • Immune system
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands
  • PPI modulators
  • Receptor's ligands

References: we are preparing a list of scientific research reports with F813-1047 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F813-1047?
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What is the minimum amount of F813-1047 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F813-1047
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F813-1047
  • 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 F813-1047 available by request