5066-0219 Screening compound: methyl (2Z)-5-amino-6-(benzenesulfonyl)-3-oxo-7-(pyridin-3-yl)-2-[(pyridin-3-yl)methylidene]-2H,3H,7H-[1,3]thiazolo[3,2-a]pyridine-8-carboxylate

5066-0219 Screening compound: methyl (2Z)-5-amino-6-(benzenesulfonyl)-3-oxo-7-(pyridin-3-yl)-2-[(pyridin-3-yl)methylidene]-2H,3H,7H-[1,3]thiazolo[3,2-a]pyridine-8-carboxylate
5066-0219 Screening compound: methyl (2Z)-5-amino-6-(benzenesulfonyl)-3-oxo-7-(pyridin-3-yl)-2-[(pyridin-3-yl)methylidene]-2H,3H,7H-[1,3]thiazolo[3,2-a]pyridine-8-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 5066-0219
methyl (2Z)-5-amino-6-(benzenesulfonyl)-3-oxo-7-(pyridin-3-yl)-2-[(pyridin-3-yl)methylidene]-2H,3H,7H-[1,3]thiazolo[3,2-a]pyridine-8-carboxylate

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

5066-0219

Molecular Formula

C26H20N4O5S2 (C26 H20 N4 O5 S2)

Compound Name

methyl (2Z)-5-amino-6-(benzenesulfonyl)-3-oxo-7-(pyridin-3-yl)-2-[(pyridin-3-yl)methylidene]-2H,3H,7H-[1,3]thiazolo[3,2-a]pyridine-8-carboxylate

IUPAC name

methyl (2Z)-5-amino-6-(benzenesulfonyl)-3-oxo-7-(pyridin-3-yl)-2-[(pyridin-3-yl)methylidene]-2H3H7H-[13]thiazolo[32-a]pyridine-8-carboxylate

SMILES

COC(C(C(c1cnccc1)C(S(c1ccccc1)(=O)=O)=C(N)N1C2=O)=C1S/C2=C\c1cnccc1)=O

InChI

InChI=1S/C26H20N4O5S2/c1-35-26(32)21-20(17-8-6-12-29-15-17)22(37(33,34)18-9-3-2-4-10-18)23(27)30-24(31)19(36-25(21)30)13-16-7-5-11-28-14-16/h2-15,20H,27H2,1H3/t20-/m0/s1

InChI Key

SEOQBBUYBNOTQV-FQEVSTJZSA-N

MDL Number (MFCD)

MFCD02949206

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

532.6

Hydrogen Bond Acceptors Count

12.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

2.412

Distribution Coefficient, logD

2.412

Water Solubility, LogSw

-2.33

Polar Surface Area

106.000

Acid Dissociation Constant (pKa)

15.03

Base Dissociation Constant (pKb)

1.36

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

7.70

References: we are preparing a list of scientific research reports with 5066-0219 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5066-0219?
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What is the minimum amount of 5066-0219 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5066-0219
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5066-0219
  • 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 5066-0219 available by request