D005-0351 Screening compound: 3-(4-chlorophenyl)-7-(3-ethoxy-4-methoxyphenyl)-3-hydroxy-5-oxo-2H,3H,5H,6H,7H-[1,3]thiazolo[3,2-a]pyridine-8-carbonitrile

D005-0351 Screening compound: 3-(4-chlorophenyl)-7-(3-ethoxy-4-methoxyphenyl)-3-hydroxy-5-oxo-2H,3H,5H,6H,7H-[1,3]thiazolo[3,2-a]pyridine-8-carbonitrile
D005-0351 Screening compound: 3-(4-chlorophenyl)-7-(3-ethoxy-4-methoxyphenyl)-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 D005-0351
3-(4-chlorophenyl)-7-(3-ethoxy-4-methoxyphenyl)-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

D005-0351

Molecular Formula

C23H21ClN2O4S (C23 H21 ClN2 O4 S)

Compound Name

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

IUPAC name

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

SMILES

CCOc(cc(C(CC(N12)=O)C(C#N)=C1SCC2(c(cc1)ccc1Cl)O)cc1)c1OC

InChI

InChI=1S/C23H21ClN2O4S/c1-3-30-20-10-14(4-9-19(20)29-2)17-11-21(27)26-22(18(17)12-25)31-13-23(26,28)15-5-7-16(24)8-6-15/h4-10,17,28H,3,11,13H2,1-2H3

InChI Key

VQZINJKNVNVUQY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD10087334

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

456.95

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.619

Distribution Coefficient, logD

3.619

Water Solubility, LogSw

-4.37

Polar Surface Area

64.558

Acid Dissociation Constant (pKa)

14.50

Base Dissociation Constant (pKb)

-6.41

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

30.40

References: we are preparing a list of scientific research reports with D005-0351 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D005-0351?
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What is the minimum amount of D005-0351 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D005-0351
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D005-0351
  • 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 D005-0351 available by request