D005-0163 Screening compound: 7-(3-ethoxy-4-hydroxyphenyl)-3-(furan-2-yl)-3-hydroxy-5-oxo-2H,3H,5H,6H,7H-[1,3]thiazolo[3,2-a]pyridine-8-carbonitrile

D005-0163 Screening compound: 7-(3-ethoxy-4-hydroxyphenyl)-3-(furan-2-yl)-3-hydroxy-5-oxo-2H,3H,5H,6H,7H-[1,3]thiazolo[3,2-a]pyridine-8-carbonitrile
D005-0163 Screening compound: 7-(3-ethoxy-4-hydroxyphenyl)-3-(furan-2-yl)-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 D005-0163
7-(3-ethoxy-4-hydroxyphenyl)-3-(furan-2-yl)-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

D005-0163

Molecular Formula

C20H18N2O5S (C20 H18 N2 O5 S)

Compound Name

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

IUPAC name

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

SMILES

CCOc(cc(C(CC(N12)=O)C(C#N)=C1SCC2(c1ccco1)O)cc1)c1O

InChI

InChI=1S/C20H18N2O5S/c1-2-26-16-8-12(5-6-15(16)23)13-9-18(24)22-19(14(13)10-21)28-11-20(22,25)17-4-3-7-27-17/h3-8,13,23,25H,2,9,11H2,1H3

InChI Key

JSMNASGVINYDAH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD10087247

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

398.44

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.079

Distribution Coefficient, logD

2.079

Water Solubility, LogSw

-2.59

Polar Surface Area

82.054

Acid Dissociation Constant (pKa)

10.39

Base Dissociation Constant (pKb)

-6.41

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

30.00

D005-0163 in Drug Discovery

Included in Screening Libraries

Antibacterial Compounds Library (13827 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal

References: we are preparing a list of scientific research reports with D005-0163 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D005-0163?
Check Price and Availability of D005-0163, 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 D005-0163 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D005-0163
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D005-0163
  • 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 D005-0163 available by request