8017-3425 Screening compound: 3-[(3,5-dimethylpiperidino)carbonyl]-8-methoxy-2H-chromen-2-one

8017-3425 Screening compound: 3-[(3,5-dimethylpiperidino)carbonyl]-8-methoxy-2H-chromen-2-one
8017-3425 Screening compound: 3-[(3,5-dimethylpiperidino)carbonyl]-8-methoxy-2H-chromen-2-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 8017-3425
3-[(3,5-dimethylpiperidino)carbonyl]-8-methoxy-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

8017-3425

Molecular Formula

C18H21NO4 (C18 H21 NO4)

Compound Name

3-[(3,5-dimethylpiperidino)carbonyl]-8-methoxy-2H-chromen-2-one

IUPAC name

3-(35-dimethylpiperidine-1-carbonyl)-8-methoxy-2H-chromen-2-one

SMILES

CC(CC(C)C1)CN1C(C1=Cc2cccc(OC)c2OC1=O)=O

InChI

InChI=1S/C18H21NO4/c1-11-7-12(2)10-19(9-11)17(20)14-8-13-5-4-6-15(22-3)16(13)23-18(14)21/h4-6,8,11-12H,7,9-10H2,1-3H3

InChI Key

LBQSKMGZOMNPFR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05885002

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

315.37

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.918

Distribution Coefficient, logD

2.918

Water Solubility, LogSw

-3.42

Polar Surface Area

44.990

Acid Dissociation Constant (pKa)

25.38

Base Dissociation Constant (pKb)

-0.80

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

44.44

8017-3425 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 8017-3425 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8017-3425?
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What is the minimum amount of 8017-3425 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8017-3425
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8017-3425
  • 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 8017-3425 available by request