F048-0745 Screening compound: N-{5-benzyl-4H,5H,6H,7H-[1,3]thiazolo[5,4-c]pyridin-2-yl}-3-[(4-fluorophenyl)sulfanyl]propanamide

F048-0745 Screening compound: N-{5-benzyl-4H,5H,6H,7H-[1,3]thiazolo[5,4-c]pyridin-2-yl}-3-[(4-fluorophenyl)sulfanyl]propanamide
F048-0745 Screening compound: N-{5-benzyl-4H,5H,6H,7H-[1,3]thiazolo[5,4-c]pyridin-2-yl}-3-[(4-fluorophenyl)sulfanyl]propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound F048-0745
N-{5-benzyl-4H,5H,6H,7H-[1,3]thiazolo[5,4-c]pyridin-2-yl}-3-[(4-fluorophenyl)sulfanyl]propanamide

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

F048-0745

Molecular Formula

C22H22FN3OS2 (C22 H22 FN3 OS2)

Compound Name

N-{5-benzyl-4H,5H,6H,7H-[1,3]thiazolo[5,4-c]pyridin-2-yl}-3-[(4-fluorophenyl)sulfanyl]propanamide

IUPAC name

N-{5-benzyl-4H5H6H7H-[13]thiazolo[54-c]pyridin-2-yl}-3-[(4-fluorophenyl)sulfanyl]propanamide

SMILES

O=C(CCSc(cc1)ccc1F)Nc1nc(CCN(Cc2ccccc2)C2)c2s1

InChI

InChI=1S/C22H22FN3OS2/c23-17-6-8-18(9-7-17)28-13-11-21(27)25-22-24-19-10-12-26(15-20(19)29-22)14-16-4-2-1-3-5-16/h1-9H,10-15H2,(H,24,25,27)

InChI Key

ZVGNTRSKGHZYLA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD11986353

Chemical and Physical Properties

Saltdata

HCl

Molecular Weight

427.57

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.724

Distribution Coefficient, logD

4.724

Water Solubility, LogSw

-4.64

Polar Surface Area

38.058

Acid Dissociation Constant (pKa)

7.57

Base Dissociation Constant (pKb)

7.05

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

27.30

F048-0745 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Adenosine Receptors Targeted Library (19896 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Nervous system
  • Eye
  • Cardiovascular
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with F048-0745 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F048-0745?
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What is the minimum amount of F048-0745 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F048-0745
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F048-0745
  • 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 F048-0745 available by request