4356-0579 Screening compound: methyl 2-{[3-(1,3-benzothiazol-2-yl)-2-oxo-2H-chromen-7-yl]oxy}propanoate

4356-0579 Screening compound: methyl 2-{[3-(1,3-benzothiazol-2-yl)-2-oxo-2H-chromen-7-yl]oxy}propanoate
4356-0579 Screening compound: methyl 2-{[3-(1,3-benzothiazol-2-yl)-2-oxo-2H-chromen-7-yl]oxy}propanoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 4356-0579
methyl 2-{[3-(1,3-benzothiazol-2-yl)-2-oxo-2H-chromen-7-yl]oxy}propanoate

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

4356-0579

Molecular Formula

C20H15NO5S (C20 H15 NO5 S)

Compound Name

methyl 2-{[3-(1,3-benzothiazol-2-yl)-2-oxo-2H-chromen-7-yl]oxy}propanoate

IUPAC name

methyl 2-{[3-(13-benzothiazol-2-yl)-2-oxo-2H-chromen-7-yl]oxy}propanoate

SMILES

CC(C(OC)=O)Oc(cc1)cc(O2)c1C=C(c1nc(cccc3)c3s1)C2=O

InChI

InChI=1S/C20H15NO5S/c1-11(19(22)24-2)25-13-8-7-12-9-14(20(23)26-16(12)10-13)18-21-15-5-3-4-6-17(15)27-18/h3-11H,1-2H3/t11-/m0/s1

InChI Key

XXDODPNUDPIETE-NSHDSACASA-N

MDL Number (MFCD)

MFCD01956568

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

381.41

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

3.851

Distribution Coefficient, logD

3.851

Water Solubility, LogSw

-4.20

Polar Surface Area

58.572

Acid Dissociation Constant (pKa)

21.90

Base Dissociation Constant (pKb)

-4.94

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

15.00

4356-0579 in Drug Discovery

Included in Screening Libraries

Epitranscriptome Focused Small Molecule Library (20952 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Hemic and lymphatic
  • Congenital
  • Metabolic
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with 4356-0579 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4356-0579?
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What is the minimum amount of 4356-0579 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4356-0579
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4356-0579
  • 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 4356-0579 available by request