4406-0052 Screening compound: 3-{2-[(4-hydroxyphenyl)amino]-1,3-thiazol-4-yl}-6-methoxy-2H-chromen-2-one

4406-0052 Screening compound: 3-{2-[(4-hydroxyphenyl)amino]-1,3-thiazol-4-yl}-6-methoxy-2H-chromen-2-one
4406-0052 Screening compound: 3-{2-[(4-hydroxyphenyl)amino]-1,3-thiazol-4-yl}-6-methoxy-2H-chromen-2-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 4406-0052
3-{2-[(4-hydroxyphenyl)amino]-1,3-thiazol-4-yl}-6-methoxy-2H-chromen-2-one

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

4406-0052

Molecular Formula

C19H14N2O4S (C19 H14 N2 O4 S)

Compound Name

3-{2-[(4-hydroxyphenyl)amino]-1,3-thiazol-4-yl}-6-methoxy-2H-chromen-2-one

IUPAC name

3-{2-[(4-hydroxyphenyl)amino]-13-thiazol-4-yl}-6-methoxy-2H-chromen-2-one

SMILES

COc(cc1)cc(C=C2c3csc(Nc(cc4)ccc4O)n3)c1OC2=O

InChI

InChI=1S/C19H14N2O4S/c1-24-14-6-7-17-11(8-14)9-15(18(23)25-17)16-10-26-19(21-16)20-12-2-4-13(22)5-3-12/h2-10,22H,1H3,(H,20,21)

InChI Key

DYSCLIVXKYXJOU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03039675

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

366.4

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.107

Distribution Coefficient, logD

4.106

Water Solubility, LogSw

-4.54

Polar Surface Area

65.008

Acid Dissociation Constant (pKa)

9.99

Base Dissociation Constant (pKb)

-1.46

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

5.30

4406-0052 in Drug Discovery

Included in Screening Libraries

Carbonic Anhydrase II Library (4939 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Covalent Inhibitors Library (7986 compounds)

Included in 1.7M Stock Database

Structure:
  • Cyclic compounds
  • 3D
  • Fragments

References: we are preparing a list of scientific research reports with 4406-0052 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4406-0052?
Check Price and Availability of 4406-0052, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of 4406-0052 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4406-0052
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4406-0052
  • 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 4406-0052 available by request