D750-0299 Screening compound: 2-{4-[2-oxo-2-(3,4,6,7-tetrahydro-5H-imidazo[4,5-c]pyridin-5-yl)ethyl]tetrahydro-2H-pyran-4-yl}-1-isoindolinone

D750-0299 Screening compound: 2-{4-[2-oxo-2-(3,4,6,7-tetrahydro-5H-imidazo[4,5-c]pyridin-5-yl)ethyl]tetrahydro-2H-pyran-4-yl}-1-isoindolinone
D750-0299 Screening compound: 2-{4-[2-oxo-2-(3,4,6,7-tetrahydro-5H-imidazo[4,5-c]pyridin-5-yl)ethyl]tetrahydro-2H-pyran-4-yl}-1-isoindolinone alternative view

Chemical Structure Depiction of ChemDiv screening compound D750-0299
2-{4-[2-oxo-2-(3,4,6,7-tetrahydro-5H-imidazo[4,5-c]pyridin-5-yl)ethyl]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

D750-0299

Molecular Formula

C21H24N4O3 (C21 H24 N4 O3)

Compound Name

2-{4-[2-oxo-2-(3,4,6,7-tetrahydro-5H-imidazo[4,5-c]pyridin-5-yl)ethyl]tetrahydro-2H-pyran-4-yl}-1-isoindolinone

IUPAC name

2-[4-(2-{3H4H5H6H7H-imidazo[45-c]pyridin-5-yl}-2-oxoethyl)oxan-4-yl]-23-dihydro-1H-isoindol-1-one

SMILES

O=C(CC1(CCOCC1)N(Cc1c2cccc1)C2=O)N(CC1)Cc2c1nc[nH]2

InChI

InChI=1S/C21H24N4O3/c26-19(24-8-5-17-18(13-24)23-14-22-17)11-21(6-9-28-10-7-21)25-12-15-3-1-2-4-16(15)20(25)27/h1-4,14H,5-13H2,(H,22,23)

InChI Key

KXWLYMJENFHWKH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD32223322

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

380.45

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

0.840

Distribution Coefficient, logD

0.764

Water Solubility, LogSw

-2.31

Polar Surface Area

63.741

Acid Dissociation Constant (pKa)

14.09

Base Dissociation Constant (pKb)

6.68

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

47.62

D750-0299 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

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

CNS MPO Library (28609 compounds)

Ion Channels Focused Library (26372 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Nervous system
  • Cardiovascular
Targets:
  • Ion Channels

References: we are preparing a list of scientific research reports with D750-0299 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D750-0299?
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What is the minimum amount of D750-0299 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D750-0299
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D750-0299
  • 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 D750-0299 available by request