D750-0544 Screening compound: 2-{4-[2-(4-methylpiperidino)-2-oxoethyl]tetrahydro-2H-pyran-4-yl}-1-isoindolinone

D750-0544 Screening compound: 2-{4-[2-(4-methylpiperidino)-2-oxoethyl]tetrahydro-2H-pyran-4-yl}-1-isoindolinone
D750-0544 Screening compound: 2-{4-[2-(4-methylpiperidino)-2-oxoethyl]tetrahydro-2H-pyran-4-yl}-1-isoindolinone alternative view

Chemical Structure Depiction of ChemDiv screening compound D750-0544
2-{4-[2-(4-methylpiperidino)-2-oxoethyl]tetrahydro-2H-pyran-4-yl}-1-isoindolinone

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

D750-0544

Molecular Formula

C21H28N2O3 (C21 H28 N2 O3)

Compound Name

2-{4-[2-(4-methylpiperidino)-2-oxoethyl]tetrahydro-2H-pyran-4-yl}-1-isoindolinone

IUPAC name

2-{4-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]oxan-4-yl}-23-dihydro-1H-isoindol-1-one

SMILES

CC(CC1)CCN1C(CC1(CCOCC1)N(Cc1c2cccc1)C2=O)=O

InChI

InChI=1S/C21H28N2O3/c1-16-6-10-22(11-7-16)19(24)14-21(8-12-26-13-9-21)23-15-17-4-2-3-5-18(17)20(23)25/h2-5,16H,6-15H2,1H3

InChI Key

CPQCDDFDTWNWAC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD32005298

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

356.46

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.475

Distribution Coefficient, logD

2.475

Water Solubility, LogSw

-2.71

Polar Surface Area

40.249

Acid Dissociation Constant (pKa)

22.86

Base Dissociation Constant (pKb)

0.05

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

61.90

D750-0544 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 D750-0544 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D750-0544?
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What is the minimum amount of D750-0544 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D750-0544
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D750-0544
  • 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 D750-0544 available by request