D396-0154 Screening compound: 3,3-dimethyl-8-(morpholin-4-yl)-6-[(3-phenylpropyl)sulfanyl]-1H,3H,4H-pyrano[3,4-c]pyridine-5-carbonitrile

D396-0154 Screening compound: 3,3-dimethyl-8-(morpholin-4-yl)-6-[(3-phenylpropyl)sulfanyl]-1H,3H,4H-pyrano[3,4-c]pyridine-5-carbonitrile
D396-0154 Screening compound: 3,3-dimethyl-8-(morpholin-4-yl)-6-[(3-phenylpropyl)sulfanyl]-1H,3H,4H-pyrano[3,4-c]pyridine-5-carbonitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound D396-0154
3,3-dimethyl-8-(morpholin-4-yl)-6-[(3-phenylpropyl)sulfanyl]-1H,3H,4H-pyrano[3,4-c]pyridine-5-carbonitrile

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

D396-0154

Molecular Formula

C24H29N3O2S (C24 H29 N3 O2 S)

Compound Name

3,3-dimethyl-8-(morpholin-4-yl)-6-[(3-phenylpropyl)sulfanyl]-1H,3H,4H-pyrano[3,4-c]pyridine-5-carbonitrile

IUPAC name

33-dimethyl-8-(morpholin-4-yl)-6-[(3-phenylpropyl)sulfanyl]-1H3H4H-pyrano[34-c]pyridine-5-carbonitrile

SMILES

CC(C)(Cc1c2C#N)OCc1c(N1CCOCC1)nc2SCCCc1ccccc1

InChI

InChI=1S/C24H29N3O2S/c1-24(2)15-19-20(16-25)23(30-14-6-9-18-7-4-3-5-8-18)26-22(21(19)17-29-24)27-10-12-28-13-11-27/h3-5,7-8H,6,9-15,17H2,1-2H3

InChI Key

ZXYGNIWPYAHNIG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14826324

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

423.58

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.720

Distribution Coefficient, logD

5.720

Water Solubility, LogSw

-5.60

Polar Surface Area

44.682

Acid Dissociation Constant (pKa)

23.28

Base Dissociation Constant (pKb)

0.16

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

50.00

D396-0154 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Autophagy-Targeted Library (4564 compounds)

PI3K-Targeted Library (17255 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Cancer
  • Digestive system
  • Respiratory tract
  • Nervous system
  • Male
  • Female
  • Cardiovascular
  • Skin
  • Metabolic
  • Immune system
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with D396-0154 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D396-0154?
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What is the minimum amount of D396-0154 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D396-0154
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D396-0154
  • 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 D396-0154 available by request