5066-0005 Screening compound: 6-ethyl 8-methyl (2Z)-5-amino-7-(3-methoxyphenyl)-2-[(3-methoxyphenyl)methylidene]-3-oxo-2H,3H,7H-[1,3]thiazolo[3,2-a]pyridine-6,8-dicarboxylate

5066-0005 Screening compound: 6-ethyl 8-methyl (2Z)-5-amino-7-(3-methoxyphenyl)-2-[(3-methoxyphenyl)methylidene]-3-oxo-2H,3H,7H-[1,3]thiazolo[3,2-a]pyridine-6,8-dicarboxylate
5066-0005 Screening compound: 6-ethyl 8-methyl (2Z)-5-amino-7-(3-methoxyphenyl)-2-[(3-methoxyphenyl)methylidene]-3-oxo-2H,3H,7H-[1,3]thiazolo[3,2-a]pyridine-6,8-dicarboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 5066-0005
6-ethyl 8-methyl (2Z)-5-amino-7-(3-methoxyphenyl)-2-[(3-methoxyphenyl)methylidene]-3-oxo-2H,3H,7H-[1,3]thiazolo[3,2-a]pyridine-6,8-dicarboxylate

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

5066-0005

Molecular Formula

C27H26N2O7S (C27 H26 N2 O7 S)

Compound Name

6-ethyl 8-methyl (2Z)-5-amino-7-(3-methoxyphenyl)-2-[(3-methoxyphenyl)methylidene]-3-oxo-2H,3H,7H-[1,3]thiazolo[3,2-a]pyridine-6,8-dicarboxylate

IUPAC name

6-ethyl 8-methyl (2Z)-5-amino-7-(3-methoxyphenyl)-2-[(3-methoxyphenyl)methylidene]-3-oxo-2H3H7H-[13]thiazolo[32-a]pyridine-68-dicarboxylate

SMILES

CCOC(C(C1c2cc(OC)ccc2)=C(N)N(C(/C(/S2)=C/c3cc(OC)ccc3)=O)C2=C1C(OC)=O)=O

InChI

InChI=1S/C27H26N2O7S/c1-5-36-27(32)21-20(16-9-7-11-18(14-16)34-3)22(26(31)35-4)25-29(23(21)28)24(30)19(37-25)13-15-8-6-10-17(12-15)33-2/h6-14,20H,5,28H2,1-4H3/t20-/m0/s1

InChI Key

XSLKIPUMCHKLFF-FQEVSTJZSA-N

MDL Number (MFCD)

MFCD01416802

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

522.58

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

3.919

Distribution Coefficient, logD

3.919

Water Solubility, LogSw

-4.12

Polar Surface Area

93.305

Acid Dissociation Constant (pKa)

12.18

Base Dissociation Constant (pKb)

-6.09

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

22.20

References: we are preparing a list of scientific research reports with 5066-0005 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5066-0005?
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What is the minimum amount of 5066-0005 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5066-0005
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5066-0005
  • 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 5066-0005 available by request