Y042-3238 Screening compound: 3-(2-methyl-1,3-thiazol-4-yl)-2-oxo-2H-chromen-7-yl 3-methoxybenzoate

Y042-3238 Screening compound: 3-(2-methyl-1,3-thiazol-4-yl)-2-oxo-2H-chromen-7-yl 3-methoxybenzoate
Y042-3238 Screening compound: 3-(2-methyl-1,3-thiazol-4-yl)-2-oxo-2H-chromen-7-yl 3-methoxybenzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound Y042-3238
3-(2-methyl-1,3-thiazol-4-yl)-2-oxo-2H-chromen-7-yl 3-methoxybenzoate

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

Y042-3238

Molecular Formula

C21H15NO5S (C21 H15 NO5 S)

Compound Name

3-(2-methyl-1,3-thiazol-4-yl)-2-oxo-2H-chromen-7-yl 3-methoxybenzoate

IUPAC name

3-(2-methyl-13-thiazol-4-yl)-2-oxo-2H-chromen-7-yl 3-methoxybenzoate

SMILES

Cc1nc(C2=Cc(ccc(OC(c3cc(OC)ccc3)=O)c3)c3OC2=O)cs1

InChI

InChI=1S/C21H15NO5S/c1-12-22-18(11-28-12)17-9-13-6-7-16(10-19(13)27-21(17)24)26-20(23)14-4-3-5-15(8-14)25-2/h3-11H,1-2H3

InChI Key

HKGDDWADUYRSDT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD12203465

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

393.42

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.922

Distribution Coefficient, logD

3.922

Water Solubility, LogSw

-4.31

Polar Surface Area

58.622

Acid Dissociation Constant (pKa)

33.29

Base Dissociation Constant (pKb)

-2.73

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

9.52

References: we are preparing a list of scientific research reports with Y042-3238 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y042-3238?
Check Price and Availability of Y042-3238, 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 Y042-3238 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y042-3238
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y042-3238
  • 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 Y042-3238 available by request