3570-0021 Screening compound: 3-(1,3-benzothiazol-2-yl)-7-hydroxy-8-[(2-methylpiperidin-1-yl)methyl]-2H-chromen-2-one

3570-0021 Screening compound: 3-(1,3-benzothiazol-2-yl)-7-hydroxy-8-[(2-methylpiperidin-1-yl)methyl]-2H-chromen-2-one
3570-0021 Screening compound: 3-(1,3-benzothiazol-2-yl)-7-hydroxy-8-[(2-methylpiperidin-1-yl)methyl]-2H-chromen-2-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 3570-0021
3-(1,3-benzothiazol-2-yl)-7-hydroxy-8-[(2-methylpiperidin-1-yl)methyl]-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

3570-0021

Molecular Formula

C23H22N2O3S (C23 H22 N2 O3 S)

Compound Name

3-(1,3-benzothiazol-2-yl)-7-hydroxy-8-[(2-methylpiperidin-1-yl)methyl]-2H-chromen-2-one

IUPAC name

3-(13-benzothiazol-2-yl)-7-hydroxy-8-[(2-methylpiperidin-1-yl)methyl]-2H-chromen-2-one

SMILES

CC1N(Cc(c(O2)c(cc3)C=C(c4nc(cccc5)c5s4)C2=O)c3O)CCCC1

InChI

InChI=1S/C23H22N2O3S/c1-14-6-4-5-11-25(14)13-17-19(26)10-9-15-12-16(23(27)28-21(15)17)22-24-18-7-2-3-8-20(18)29-22/h2-3,7-10,12,14,26H,4-6,11,13H2,1H3/t14-/m0/s1

InChI Key

NLUMALRDFQBAAL-AWEZNQCLSA-N

MDL Number (MFCD)

MFCD01957981

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

406.51

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.763

Distribution Coefficient, logD

4.206

Water Solubility, LogSw

-4.32

Polar Surface Area

50.025

Acid Dissociation Constant (pKa)

8.96

Base Dissociation Constant (pKb)

7.82

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

30.40

3570-0021 in Drug Discovery

Included in Screening Libraries

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 3570-0021 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3570-0021?
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What is the minimum amount of 3570-0021 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3570-0021
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3570-0021
  • 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 3570-0021 available by request