D005-0178 Screening compound: 3-(4-ethoxyphenyl)-7-(4-fluorophenyl)-3-hydroxy-5-oxo-2H,3H,5H,6H,7H-[1,3]thiazolo[3,2-a]pyridine-8-carbonitrile

D005-0178 Screening compound: 3-(4-ethoxyphenyl)-7-(4-fluorophenyl)-3-hydroxy-5-oxo-2H,3H,5H,6H,7H-[1,3]thiazolo[3,2-a]pyridine-8-carbonitrile
D005-0178 Screening compound: 3-(4-ethoxyphenyl)-7-(4-fluorophenyl)-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 D005-0178
3-(4-ethoxyphenyl)-7-(4-fluorophenyl)-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

D005-0178

Molecular Formula

C22H19FN2O3S (C22 H19 FN2 O3 S)

Compound Name

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

IUPAC name

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

SMILES

CCOc1ccc(C(CSC2=C(C(C3)c(cc4)ccc4F)C#N)(N2C3=O)O)cc1

InChI

InChI=1S/C22H19FN2O3S/c1-2-28-17-9-5-15(6-10-17)22(27)13-29-21-19(12-24)18(11-20(26)25(21)22)14-3-7-16(23)8-4-14/h3-10,18,27H,2,11,13H2,1H3

InChI Key

RFOKVWUUYIKRAQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD10087285

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

410.47

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.577

Distribution Coefficient, logD

3.577

Water Solubility, LogSw

-3.57

Polar Surface Area

56.841

Acid Dissociation Constant (pKa)

14.50

Base Dissociation Constant (pKb)

-6.41

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

27.30

References: we are preparing a list of scientific research reports with D005-0178 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D005-0178?
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What is the minimum amount of D005-0178 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D005-0178
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D005-0178
  • 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 D005-0178 available by request