3570-0023 Screening compound: 3-(1,3-benzothiazol-2-yl)-7-hydroxy-8-[(3-methylpiperidin-1-yl)methyl]-2H-chromen-2-one

3570-0023 Screening compound: 3-(1,3-benzothiazol-2-yl)-7-hydroxy-8-[(3-methylpiperidin-1-yl)methyl]-2H-chromen-2-one
3570-0023 Screening compound: 3-(1,3-benzothiazol-2-yl)-7-hydroxy-8-[(3-methylpiperidin-1-yl)methyl]-2H-chromen-2-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 3570-0023
3-(1,3-benzothiazol-2-yl)-7-hydroxy-8-[(3-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

3570-0023

Molecular Formula

C23H22N2O3S (C23 H22 N2 O3 S)

Compound Name

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

IUPAC name

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

SMILES

CC1CN(Cc(c(O2)c(cc3)C=C(c4nc(cccc5)c5s4)C2=O)c3O)CCC1

InChI

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

InChI Key

CQSQCZDCMNLKAV-AWEZNQCLSA-N

MDL Number (MFCD)

MFCD01958348

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

4.799

Distribution Coefficient, logD

4.423

Water Solubility, LogSw

-4.31

Polar Surface Area

50.507

Acid Dissociation Constant (pKa)

8.96

Base Dissociation Constant (pKb)

7.54

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

30.40

3570-0023 in Drug Discovery

Included in Screening Libraries

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

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 3570-0023 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3570-0023?
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What is the minimum amount of 3570-0023 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3570-0023
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3570-0023
  • 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 3570-0023 available by request