2435-0072 Screening compound: ethyl (2E)-5-amino-6-cyano-7-(4-hydroxyphenyl)-2-[(4-hydroxyphenyl)methylidene]-3-oxo-2H,3H,7H-[1,3]thiazolo[3,2-a]pyridine-8-carboxylate

2435-0072 Screening compound: ethyl (2E)-5-amino-6-cyano-7-(4-hydroxyphenyl)-2-[(4-hydroxyphenyl)methylidene]-3-oxo-2H,3H,7H-[1,3]thiazolo[3,2-a]pyridine-8-carboxylate
2435-0072 Screening compound: ethyl (2E)-5-amino-6-cyano-7-(4-hydroxyphenyl)-2-[(4-hydroxyphenyl)methylidene]-3-oxo-2H,3H,7H-[1,3]thiazolo[3,2-a]pyridine-8-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 2435-0072
ethyl (2E)-5-amino-6-cyano-7-(4-hydroxyphenyl)-2-[(4-hydroxyphenyl)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

2435-0072

Molecular Formula

C24H19N3O5S (C24 H19 N3 O5 S)

Compound Name

ethyl (2E)-5-amino-6-cyano-7-(4-hydroxyphenyl)-2-[(4-hydroxyphenyl)methylidene]-3-oxo-2H,3H,7H-[1,3]thiazolo[3,2-a]pyridine-8-carboxylate

IUPAC name

ethyl (2E)-5-amino-6-cyano-7-(4-hydroxyphenyl)-2-[(4-hydroxyphenyl)methylidene]-3-oxo-2H3H7H-[13]thiazolo[32-a]pyridine-8-carboxylate

SMILES

CCOC(C(C(c(cc1)ccc1O)C(C#N)=C(N)N1C2=O)=C1S/C2=C/c(cc1)ccc1O)=O

InChI

InChI=1S/C24H19N3O5S/c1-2-32-24(31)20-19(14-5-9-16(29)10-6-14)17(12-25)21(26)27-22(30)18(33-23(20)27)11-13-3-7-15(28)8-4-13/h3-11,19,28-29H,2,26H2,1H3/t19-/m0/s1

InChI Key

PRNGWPHJMXIJDB-IBGZPJMESA-N

MDL Number (MFCD)

MFCD01789354

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

461.5

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

4.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.622

Distribution Coefficient, logD

2.619

Water Solubility, LogSw

-2.74

Polar Surface Area

109.334

Acid Dissociation Constant (pKa)

9.67

Base Dissociation Constant (pKb)

-6.41

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

12.50

References: we are preparing a list of scientific research reports with 2435-0072 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2435-0072?
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What is the minimum amount of 2435-0072 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2435-0072
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2435-0072
  • 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 2435-0072 available by request