5066-0003 Screening compound: 6-ethyl 8-methyl (2Z)-5-amino-3-oxo-7-phenyl-2-(phenylmethylidene)-2H,3H,7H-[1,3]thiazolo[3,2-a]pyridine-6,8-dicarboxylate

5066-0003 Screening compound: 6-ethyl 8-methyl (2Z)-5-amino-3-oxo-7-phenyl-2-(phenylmethylidene)-2H,3H,7H-[1,3]thiazolo[3,2-a]pyridine-6,8-dicarboxylate
5066-0003 Screening compound: 6-ethyl 8-methyl (2Z)-5-amino-3-oxo-7-phenyl-2-(phenylmethylidene)-2H,3H,7H-[1,3]thiazolo[3,2-a]pyridine-6,8-dicarboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 5066-0003
6-ethyl 8-methyl (2Z)-5-amino-3-oxo-7-phenyl-2-(phenylmethylidene)-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

5066-0003

Molecular Formula

C25H22N2O5S (C25 H22 N2 O5 S)

Compound Name

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

IUPAC name

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

SMILES

CCOC(C(C1c2ccccc2)=C(N)N(C(/C(/S2)=C/c3ccccc3)=O)C2=C1C(OC)=O)=O

InChI

InChI=1S/C25H22N2O5S/c1-3-32-25(30)19-18(16-12-8-5-9-13-16)20(24(29)31-2)23-27(21(19)26)22(28)17(33-23)14-15-10-6-4-7-11-15/h4-14,18H,3,26H2,1-2H3/t18-/m0/s1

InChI Key

GMOKCPGPVVFXRR-SFHVURJKSA-N

MDL Number (MFCD)

MFCD01416800

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

462.53

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.959

Distribution Coefficient, logD

3.959

Water Solubility, LogSw

-4.16

Polar Surface Area

78.217

Acid Dissociation Constant (pKa)

12.18

Base Dissociation Constant (pKb)

-6.09

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

16.00

References: we are preparing a list of scientific research reports with 5066-0003 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5066-0003?
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What is the minimum amount of 5066-0003 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5066-0003
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5066-0003
  • 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 5066-0003 available by request