F048-0045 Screening compound: 3-chloro-N-{5-methyl-4H,5H,6H,7H-[1,3]thiazolo[5,4-c]pyridin-2-yl}-1-benzothiophene-2-carboxamide

F048-0045 Screening compound: 3-chloro-N-{5-methyl-4H,5H,6H,7H-[1,3]thiazolo[5,4-c]pyridin-2-yl}-1-benzothiophene-2-carboxamide
F048-0045 Screening compound: 3-chloro-N-{5-methyl-4H,5H,6H,7H-[1,3]thiazolo[5,4-c]pyridin-2-yl}-1-benzothiophene-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound F048-0045
3-chloro-N-{5-methyl-4H,5H,6H,7H-[1,3]thiazolo[5,4-c]pyridin-2-yl}-1-benzothiophene-2-carboxamide

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

F048-0045

Molecular Formula

C16H14ClN3OS2 (C16 H14 ClN3 OS2)

Compound Name

3-chloro-N-{5-methyl-4H,5H,6H,7H-[1,3]thiazolo[5,4-c]pyridin-2-yl}-1-benzothiophene-2-carboxamide

IUPAC name

3-chloro-N-{5-methyl-4H5H6H7H-[13]thiazolo[54-c]pyridin-2-yl}-1-benzothiophene-2-carboxamide

SMILES

CN(CC1)Cc2c1nc(NC(c(sc1c3cccc1)c3Cl)=O)s2

InChI

InChI=1S/C16H14ClN3OS2/c1-20-7-6-10-12(8-20)23-16(18-10)19-15(21)14-13(17)9-4-2-3-5-11(9)22-14/h2-5H,6-8H2,1H3,(H,18,19,21)

InChI Key

SEKQGDALTRFLCY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD11986182

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

363.89

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

3.964

Distribution Coefficient, logD

3.964

Water Solubility, LogSw

-4.45

Polar Surface Area

38.954

Acid Dissociation Constant (pKa)

6.37

Base Dissociation Constant (pKb)

8.03

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

F048-0045 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

CNS Targets (44014 compounds)

Adenosine Receptors Targeted Library (19896 compounds)

Type II Kinase Inhibitors Library (6956 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Female
  • Congenital
  • Skin
  • Nervous system
  • Cancer
  • Digestive system
  • Respiratory tract
  • Nervous system
  • Eye
  • Cardiovascular
  • Digestive system
  • Hemic and lymphatic
  • Endocrine
Targets:
  • Kinases
  • GPCR
  • Kinases
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with F048-0045 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F048-0045?
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What is the minimum amount of F048-0045 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F048-0045
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F048-0045
  • 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 F048-0045 available by request