D005-0017 Screening compound: 3-(4-fluorophenyl)-3-hydroxy-7-(4-methoxyphenyl)-5-oxo-2H,3H,5H,6H,7H-[1,3]thiazolo[3,2-a]pyridine-8-carbonitrile

D005-0017 Screening compound: 3-(4-fluorophenyl)-3-hydroxy-7-(4-methoxyphenyl)-5-oxo-2H,3H,5H,6H,7H-[1,3]thiazolo[3,2-a]pyridine-8-carbonitrile
D005-0017 Screening compound: 3-(4-fluorophenyl)-3-hydroxy-7-(4-methoxyphenyl)-5-oxo-2H,3H,5H,6H,7H-[1,3]thiazolo[3,2-a]pyridine-8-carbonitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound D005-0017
3-(4-fluorophenyl)-3-hydroxy-7-(4-methoxyphenyl)-5-oxo-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

D005-0017

Molecular Formula

C21H17FN2O3S (C21 H17 FN2 O3 S)

Compound Name

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

IUPAC name

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

SMILES

COc1ccc(C(CC(N23)=O)C(C#N)=C2SCC3(c(cc2)ccc2F)O)cc1

InChI

InChI=1S/C21H17FN2O3S/c1-27-16-8-2-13(3-9-16)17-10-19(25)24-20(18(17)11-23)28-12-21(24,26)14-4-6-15(22)7-5-14/h2-9,17,26H,10,12H2,1H3

InChI Key

BWBUAFAOZISIFH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD10087300

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

396.44

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

3.191

Distribution Coefficient, logD

3.191

Water Solubility, LogSw

-3.23

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

References: we are preparing a list of scientific research reports with D005-0017 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D005-0017?
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What is the minimum amount of D005-0017 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D005-0017
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D005-0017
  • 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 D005-0017 available by request