3570-0396 Screening compound: benzyl 2-{[3-(1,3-benzothiazol-2-yl)-2-methyl-4-oxo-4H-chromen-7-yl]oxy}acetate

3570-0396 Screening compound: benzyl 2-{[3-(1,3-benzothiazol-2-yl)-2-methyl-4-oxo-4H-chromen-7-yl]oxy}acetate
3570-0396 Screening compound: benzyl 2-{[3-(1,3-benzothiazol-2-yl)-2-methyl-4-oxo-4H-chromen-7-yl]oxy}acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound 3570-0396
benzyl 2-{[3-(1,3-benzothiazol-2-yl)-2-methyl-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

3570-0396

Molecular Formula

C26H19NO5S (C26 H19 NO5 S)

Compound Name

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

IUPAC name

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

SMILES

CC(Oc1c2ccc(OCC(OCc3ccccc3)=O)c1)=C(c1nc(cccc3)c3s1)C2=O

InChI

InChI=1S/C26H19NO5S/c1-16-24(26-27-20-9-5-6-10-22(20)33-26)25(29)19-12-11-18(13-21(19)32-16)30-15-23(28)31-14-17-7-3-2-4-8-17/h2-13H,14-15H2,1H3

InChI Key

OCHCLLFTXPGDAJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01955460

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

457.51

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.142

Distribution Coefficient, logD

5.142

Water Solubility, LogSw

-5.15

Polar Surface Area

57.808

Acid Dissociation Constant (pKa)

24.27

Base Dissociation Constant (pKb)

-5.76

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

11.50

3570-0396 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Protein Arginine Methyltransferases Library (27925 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Metabolic
Targets:
  • Others
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with 3570-0396 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3570-0396?
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What is the minimum amount of 3570-0396 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3570-0396
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3570-0396
  • 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 3570-0396 available by request