D005-0242 Screening compound: 3-(3,4-dimethoxyphenyl)-7-(4-ethoxyphenyl)-3-hydroxy-5-oxo-2H,3H,5H,6H,7H-[1,3]thiazolo[3,2-a]pyridine-8-carbonitrile

D005-0242 Screening compound: 3-(3,4-dimethoxyphenyl)-7-(4-ethoxyphenyl)-3-hydroxy-5-oxo-2H,3H,5H,6H,7H-[1,3]thiazolo[3,2-a]pyridine-8-carbonitrile
D005-0242 Screening compound: 3-(3,4-dimethoxyphenyl)-7-(4-ethoxyphenyl)-3-hydroxy-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 D005-0242
3-(3,4-dimethoxyphenyl)-7-(4-ethoxyphenyl)-3-hydroxy-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

D005-0242

Molecular Formula

C24H24N2O5S (C24 H24 N2 O5 S)

Compound Name

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

IUPAC name

3-(34-dimethoxyphenyl)-7-(4-ethoxyphenyl)-3-hydroxy-5-oxo-2H3H5H6H7H-[13]thiazolo[32-a]pyridine-8-carbonitrile

SMILES

CCOc1ccc(C(CC(N23)=O)C(C#N)=C2SCC3(c(cc2)cc(OC)c2OC)O)cc1

InChI

InChI=1S/C24H24N2O5S/c1-4-31-17-8-5-15(6-9-17)18-12-22(27)26-23(19(18)13-25)32-14-24(26,28)16-7-10-20(29-2)21(11-16)30-3/h5-11,18,28H,4,12,14H2,1-3H3

InChI Key

PLIPRBRVVJZJEZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD10087280

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

452.53

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.146

Distribution Coefficient, logD

3.146

Water Solubility, LogSw

-3.19

Polar Surface Area

72.101

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 D005-0242 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D005-0242?
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What is the minimum amount of D005-0242 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D005-0242
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D005-0242
  • 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 D005-0242 available by request