D396-0165 Screening compound: 2-{[5-cyano-3,3-dimethyl-8-(morpholin-4-yl)-1H,3H,4H-pyrano[3,4-c]pyridin-6-yl]sulfanyl}-N-(3-methylphenyl)acetamide

D396-0165 Screening compound: 2-{[5-cyano-3,3-dimethyl-8-(morpholin-4-yl)-1H,3H,4H-pyrano[3,4-c]pyridin-6-yl]sulfanyl}-N-(3-methylphenyl)acetamide
D396-0165 Screening compound: 2-{[5-cyano-3,3-dimethyl-8-(morpholin-4-yl)-1H,3H,4H-pyrano[3,4-c]pyridin-6-yl]sulfanyl}-N-(3-methylphenyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D396-0165
2-{[5-cyano-3,3-dimethyl-8-(morpholin-4-yl)-1H,3H,4H-pyrano[3,4-c]pyridin-6-yl]sulfanyl}-N-(3-methylphenyl)acetamide

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

D396-0165

Molecular Formula

C24H28N4O3S (C24 H28 N4 O3 S)

Compound Name

2-{[5-cyano-3,3-dimethyl-8-(morpholin-4-yl)-1H,3H,4H-pyrano[3,4-c]pyridin-6-yl]sulfanyl}-N-(3-methylphenyl)acetamide

IUPAC name

2-{[5-cyano-33-dimethyl-8-(morpholin-4-yl)-1H3H4H-pyrano[34-c]pyridin-6-yl]sulfanyl}-N-(3-methylphenyl)acetamide

SMILES

CC(C)(Cc1c2C#N)OCc1c(N1CCOCC1)nc2SCC(Nc1cc(C)ccc1)=O

InChI

InChI=1S/C24H28N4O3S/c1-16-5-4-6-17(11-16)26-21(29)15-32-23-19(13-25)18-12-24(2,3)31-14-20(18)22(27-23)28-7-9-30-10-8-28/h4-6,11H,7-10,12,14-15H2,1-3H3,(H,26,29)

InChI Key

WTYRLLMUVPAHAE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14826331

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

452.58

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.462

Distribution Coefficient, logD

4.462

Water Solubility, LogSw

-4.44

Polar Surface Area

67.831

Acid Dissociation Constant (pKa)

12.93

Base Dissociation Constant (pKb)

1.87

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

45.80

D396-0165 in Drug Discovery

Included in Screening Libraries

PI3K-Targeted Library (17255 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • 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 D396-0165 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D396-0165?
Check Price and Availability of D396-0165, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of D396-0165 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D396-0165
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D396-0165
  • 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 D396-0165 available by request