4300-0001 Screening compound: methyl 2-{[3-(2-methyl-1,3-thiazol-4-yl)-4-oxo-4H-chromen-7-yl]oxy}acetate

4300-0001 Screening compound: methyl 2-{[3-(2-methyl-1,3-thiazol-4-yl)-4-oxo-4H-chromen-7-yl]oxy}acetate
4300-0001 Screening compound: methyl 2-{[3-(2-methyl-1,3-thiazol-4-yl)-4-oxo-4H-chromen-7-yl]oxy}acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound 4300-0001
methyl 2-{[3-(2-methyl-1,3-thiazol-4-yl)-4-oxo-4H-chromen-7-yl]oxy}acetate

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

4300-0001

Molecular Formula

C16H13NO5S (C16 H13 NO5 S)

Compound Name

methyl 2-{[3-(2-methyl-1,3-thiazol-4-yl)-4-oxo-4H-chromen-7-yl]oxy}acetate

IUPAC name

methyl 2-{[3-(2-methyl-13-thiazol-4-yl)-4-oxo-4H-chromen-7-yl]oxy}acetate

SMILES

Cc1nc(C2=COc(cc(cc3)OCC(OC)=O)c3C2=O)cs1

InChI

InChI=1S/C16H13NO5S/c1-9-17-13(8-23-9)12-6-22-14-5-10(21-7-15(18)20-2)3-4-11(14)16(12)19/h3-6,8H,7H2,1-2H3

InChI Key

OUGNRDPVUHTKLN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00704924

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

331.35

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

1.888

Distribution Coefficient, logD

1.888

Water Solubility, LogSw

-2.89

Polar Surface Area

58.750

Acid Dissociation Constant (pKa)

24.27

Base Dissociation Constant (pKb)

-2.73

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

18.80

4300-0001 in Drug Discovery

Included in Screening Libraries

Anti-Aging Library (44940 compounds)

Cardiovascular Library (22201 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Metabolic
  • Immune system
  • Cardiovascular
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with 4300-0001 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4300-0001?
Check Price and Availability of 4300-0001, 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 4300-0001 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4300-0001
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4300-0001
  • 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 4300-0001 available by request