D005-0339 Screening compound: 7-(3-ethoxy-4-propoxyphenyl)-3-hydroxy-3-(4-methoxyphenyl)-5-oxo-2H,3H,5H,6H,7H-[1,3]thiazolo[3,2-a]pyridine-8-carbonitrile

D005-0339 Screening compound: 7-(3-ethoxy-4-propoxyphenyl)-3-hydroxy-3-(4-methoxyphenyl)-5-oxo-2H,3H,5H,6H,7H-[1,3]thiazolo[3,2-a]pyridine-8-carbonitrile
D005-0339 Screening compound: 7-(3-ethoxy-4-propoxyphenyl)-3-hydroxy-3-(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 D005-0339
7-(3-ethoxy-4-propoxyphenyl)-3-hydroxy-3-(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

D005-0339

Molecular Formula

C26H28N2O5S (C26 H28 N2 O5 S)

Compound Name

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

IUPAC name

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

SMILES

CCCOc(ccc(C(CC(N12)=O)C(C#N)=C1SCC2(c(cc1)ccc1OC)O)c1)c1OCC

InChI

InChI=1S/C26H28N2O5S/c1-4-12-33-22-11-6-17(13-23(22)32-5-2)20-14-24(29)28-25(21(20)15-27)34-16-26(28,30)18-7-9-19(31-3)10-8-18/h6-11,13,20,30H,4-5,12,14,16H2,1-3H3

InChI Key

WNKCJUZDLQXZQV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD10087357

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

480.58

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.029

Distribution Coefficient, logD

4.029

Water Solubility, LogSw

-4.06

Polar Surface Area

71.975

Acid Dissociation Constant (pKa)

14.50

Base Dissociation Constant (pKb)

-6.41

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

38.50

D005-0339 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with D005-0339 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D005-0339?
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What is the minimum amount of D005-0339 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D005-0339
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D005-0339
  • 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 D005-0339 available by request