D005-0289 Screening compound: methyl 4-[8-cyano-3-hydroxy-3-(4-methylphenyl)-5-oxo-2H,3H,5H,6H,7H-[1,3]thiazolo[3,2-a]pyridin-7-yl]benzoate

D005-0289 Screening compound: methyl 4-[8-cyano-3-hydroxy-3-(4-methylphenyl)-5-oxo-2H,3H,5H,6H,7H-[1,3]thiazolo[3,2-a]pyridin-7-yl]benzoate
D005-0289 Screening compound: methyl 4-[8-cyano-3-hydroxy-3-(4-methylphenyl)-5-oxo-2H,3H,5H,6H,7H-[1,3]thiazolo[3,2-a]pyridin-7-yl]benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound D005-0289
methyl 4-[8-cyano-3-hydroxy-3-(4-methylphenyl)-5-oxo-2H,3H,5H,6H,7H-[1,3]thiazolo[3,2-a]pyridin-7-yl]benzoate

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

D005-0289

Molecular Formula

C23H20N2O4S (C23 H20 N2 O4 S)

Compound Name

methyl 4-[8-cyano-3-hydroxy-3-(4-methylphenyl)-5-oxo-2H,3H,5H,6H,7H-[1,3]thiazolo[3,2-a]pyridin-7-yl]benzoate

IUPAC name

methyl 4-[8-cyano-3-hydroxy-3-(4-methylphenyl)-5-oxo-2H3H5H6H7H-[13]thiazolo[32-a]pyridin-7-yl]benzoate

SMILES

Cc1ccc(C(CSC2=C(C(C3)c(cc4)ccc4C(OC)=O)C#N)(N2C3=O)O)cc1

InChI

InChI=1S/C23H20N2O4S/c1-14-3-9-17(10-4-14)23(28)13-30-21-19(12-24)18(11-20(26)25(21)23)15-5-7-16(8-6-15)22(27)29-2/h3-10,18,28H,11,13H2,1-2H3

InChI Key

QJQJWGUVKGCDQK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD10087241

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

420.49

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.693

Distribution Coefficient, logD

3.693

Water Solubility, LogSw

-3.91

Polar Surface Area

70.891

Acid Dissociation Constant (pKa)

14.50

Base Dissociation Constant (pKb)

-6.41

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

26.10

D005-0289 in Drug Discovery

Included in Screening Libraries

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

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with D005-0289 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D005-0289?
Check Price and Availability of D005-0289, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of D005-0289 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D005-0289
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D005-0289
  • 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 D005-0289 available by request