8005-2653 Screening compound: ethyl (2E)-5-amino-6-cyano-7-(2-methylphenyl)-2-[(2-methylphenyl)methylidene]-3-oxo-2H,3H,7H-[1,3]thiazolo[3,2-a]pyridine-8-carboxylate

8005-2653 Screening compound: ethyl (2E)-5-amino-6-cyano-7-(2-methylphenyl)-2-[(2-methylphenyl)methylidene]-3-oxo-2H,3H,7H-[1,3]thiazolo[3,2-a]pyridine-8-carboxylate
8005-2653 Screening compound: ethyl (2E)-5-amino-6-cyano-7-(2-methylphenyl)-2-[(2-methylphenyl)methylidene]-3-oxo-2H,3H,7H-[1,3]thiazolo[3,2-a]pyridine-8-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8005-2653
ethyl (2E)-5-amino-6-cyano-7-(2-methylphenyl)-2-[(2-methylphenyl)methylidene]-3-oxo-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

8005-2653

Molecular Formula

C26H23N3O3S (C26 H23 N3 O3 S)

Compound Name

ethyl (2E)-5-amino-6-cyano-7-(2-methylphenyl)-2-[(2-methylphenyl)methylidene]-3-oxo-2H,3H,7H-[1,3]thiazolo[3,2-a]pyridine-8-carboxylate

IUPAC name

ethyl (2E)-5-amino-6-cyano-7-(2-methylphenyl)-2-[(2-methylphenyl)methylidene]-3-oxo-2H3H7H-[13]thiazolo[32-a]pyridine-8-carboxylate

SMILES

CCOC(C(C(c1c(C)cccc1)C(C#N)=C(N)N1C2=O)=C1S/C2=C/c1c(C)cccc1)=O

InChI

InChI=1S/C26H23N3O3S/c1-4-32-26(31)22-21(18-12-8-6-10-16(18)3)19(14-27)23(28)29-24(30)20(33-25(22)29)13-17-11-7-5-9-15(17)2/h5-13,21H,4,28H2,1-3H3/t21-/m0/s1

InChI Key

DMQKSSCUZYZPBQ-NRFANRHFSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

457.55

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.921

Distribution Coefficient, logD

4.921

Water Solubility, LogSw

-4.73

Polar Surface Area

74.100

Acid Dissociation Constant (pKa)

13.36

Base Dissociation Constant (pKb)

-6.41

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

19.20

References: we are preparing a list of scientific research reports with 8005-2653 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8005-2653?
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What is the minimum amount of 8005-2653 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8005-2653
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8005-2653
  • 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 8005-2653 available by request