D005-0311 Screening compound: 3-(4-fluorophenyl)-3-hydroxy-7-(3-methoxy-4-propoxyphenyl)-5-oxo-2H,3H,5H,6H,7H-[1,3]thiazolo[3,2-a]pyridine-8-carbonitrile

D005-0311 Screening compound: 3-(4-fluorophenyl)-3-hydroxy-7-(3-methoxy-4-propoxyphenyl)-5-oxo-2H,3H,5H,6H,7H-[1,3]thiazolo[3,2-a]pyridine-8-carbonitrile
D005-0311 Screening compound: 3-(4-fluorophenyl)-3-hydroxy-7-(3-methoxy-4-propoxyphenyl)-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 D005-0311
3-(4-fluorophenyl)-3-hydroxy-7-(3-methoxy-4-propoxyphenyl)-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

D005-0311

Molecular Formula

C24H23FN2O4S (C24 H23 FN2 O4 S)

Compound Name

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

IUPAC name

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

SMILES

CCCOc(ccc(C(CC(N12)=O)C(C#N)=C1SCC2(c(cc1)ccc1F)O)c1)c1OC

InChI

InChI=1S/C24H23FN2O4S/c1-3-10-31-20-9-4-15(11-21(20)30-2)18-12-22(28)27-23(19(18)13-26)32-14-24(27,29)16-5-7-17(25)8-6-16/h4-9,11,18,29H,3,10,12,14H2,1-2H3

InChI Key

YRWOKAGOAWPCDG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD10087337

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

454.52

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.930

Distribution Coefficient, logD

3.930

Water Solubility, LogSw

-4.01

Polar Surface Area

64.852

Acid Dissociation Constant (pKa)

14.50

Base Dissociation Constant (pKb)

-6.41

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

33.30

References: we are preparing a list of scientific research reports with D005-0311 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D005-0311?
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What is the minimum amount of D005-0311 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D005-0311
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D005-0311
  • 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 D005-0311 available by request