C611-0809 Screening compound: 3-hydroxy-7-(4-methoxyphenyl)-5-oxo-3-phenyl-2H,3H,5H,6H,7H-[1,3]thiazolo[3,2-a]pyridine-8-carbonitrile

C611-0809 Screening compound: 3-hydroxy-7-(4-methoxyphenyl)-5-oxo-3-phenyl-2H,3H,5H,6H,7H-[1,3]thiazolo[3,2-a]pyridine-8-carbonitrile
C611-0809 Screening compound: 3-hydroxy-7-(4-methoxyphenyl)-5-oxo-3-phenyl-2H,3H,5H,6H,7H-[1,3]thiazolo[3,2-a]pyridine-8-carbonitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound C611-0809
3-hydroxy-7-(4-methoxyphenyl)-5-oxo-3-phenyl-2H,3H,5H,6H,7H-[1,3]thiazolo[3,2-a]pyridine-8-carbonitrile

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

C611-0809

Molecular Formula

C21H18N2O3S (C21 H18 N2 O3 S)

Compound Name

3-hydroxy-7-(4-methoxyphenyl)-5-oxo-3-phenyl-2H,3H,5H,6H,7H-[1,3]thiazolo[3,2-a]pyridine-8-carbonitrile

IUPAC name

3-hydroxy-7-(4-methoxyphenyl)-5-oxo-3-phenyl-2H3H5H6H7H-[13]thiazolo[32-a]pyridine-8-carbonitrile

SMILES

COc1ccc(C(CC(N23)=O)C(C#N)=C2SCC3(c2ccccc2)O)cc1

InChI

InChI=1S/C21H18N2O3S/c1-26-16-9-7-14(8-10-16)17-11-19(24)23-20(18(17)12-22)27-13-21(23,25)15-5-3-2-4-6-15/h2-10,17,25H,11,13H2,1H3

InChI Key

NXDGVCLNSIAUGJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14775514

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

378.45

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.056

Distribution Coefficient, logD

3.056

Water Solubility, LogSw

-3.22

Polar Surface Area

57.261

Acid Dissociation Constant (pKa)

14.50

Base Dissociation Constant (pKb)

-6.41

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

23.80

C611-0809 in Drug Discovery

Included in Screening Libraries

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with C611-0809 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C611-0809?
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What is the minimum amount of C611-0809 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C611-0809
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C611-0809
  • 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 C611-0809 available by request