D005-0287 Screening compound: methyl 4-[8-cyano-3-(3,4-dimethoxyphenyl)-3-hydroxy-5-oxo-2H,3H,5H,6H,7H-[1,3]thiazolo[3,2-a]pyridin-7-yl]benzoate

D005-0287 Screening compound: methyl 4-[8-cyano-3-(3,4-dimethoxyphenyl)-3-hydroxy-5-oxo-2H,3H,5H,6H,7H-[1,3]thiazolo[3,2-a]pyridin-7-yl]benzoate
D005-0287 Screening compound: methyl 4-[8-cyano-3-(3,4-dimethoxyphenyl)-3-hydroxy-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 D005-0287
methyl 4-[8-cyano-3-(3,4-dimethoxyphenyl)-3-hydroxy-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

D005-0287

Molecular Formula

C24H22N2O6S (C24 H22 N2 O6 S)

Compound Name

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

IUPAC name

methyl 4-[8-cyano-3-(34-dimethoxyphenyl)-3-hydroxy-5-oxo-2H3H5H6H7H-[13]thiazolo[32-a]pyridin-7-yl]benzoate

SMILES

COC(c1ccc(C(CC(N23)=O)C(C#N)=C2SCC3(c(cc2)cc(OC)c2OC)O)cc1)=O

InChI

InChI=1S/C24H22N2O6S/c1-30-19-9-8-16(10-20(19)31-2)24(29)13-33-22-18(12-25)17(11-21(27)26(22)24)14-4-6-15(7-5-14)23(28)32-3/h4-10,17,29H,11,13H2,1-3H3

InChI Key

ROAWDCQVWQMBLZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD10087269

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

466.51

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.868

Distribution Coefficient, logD

2.868

Water Solubility, LogSw

-3.11

Polar Surface Area

86.152

Acid Dissociation Constant (pKa)

14.50

Base Dissociation Constant (pKb)

-6.41

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

29.20

References: we are preparing a list of scientific research reports with D005-0287 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D005-0287?
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What is the minimum amount of D005-0287 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D005-0287
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D005-0287
  • 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 D005-0287 available by request