3966-1115 Screening compound: 3,3-dimethyl-8-(morpholin-4-yl)-6-(prop-2-en-1-ylsulfanyl)-1H,3H,4H-pyrano[3,4-c]pyridine-5-carbonitrile

3966-1115 Screening compound: 3,3-dimethyl-8-(morpholin-4-yl)-6-(prop-2-en-1-ylsulfanyl)-1H,3H,4H-pyrano[3,4-c]pyridine-5-carbonitrile
3966-1115 Screening compound: 3,3-dimethyl-8-(morpholin-4-yl)-6-(prop-2-en-1-ylsulfanyl)-1H,3H,4H-pyrano[3,4-c]pyridine-5-carbonitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound 3966-1115
3,3-dimethyl-8-(morpholin-4-yl)-6-(prop-2-en-1-ylsulfanyl)-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

3966-1115

Molecular Formula

C18H23N3O2S (C18 H23 N3 O2 S)

Compound Name

3,3-dimethyl-8-(morpholin-4-yl)-6-(prop-2-en-1-ylsulfanyl)-1H,3H,4H-pyrano[3,4-c]pyridine-5-carbonitrile

IUPAC name

33-dimethyl-8-(morpholin-4-yl)-6-(prop-2-en-1-ylsulfanyl)-1H3H4H-pyrano[34-c]pyridine-5-carbonitrile

SMILES

CC(C)(Cc1c2C#N)OCc1c(N1CCOCC1)nc2SCC=C

InChI

InChI=1S/C18H23N3O2S/c1-4-9-24-17-14(11-19)13-10-18(2,3)23-12-15(13)16(20-17)21-5-7-22-8-6-21/h4H,1,5-10,12H2,2-3H3

InChI Key

GANBSBRPBYZHJL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00386657

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

345.47

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.908

Distribution Coefficient, logD

3.908

Water Solubility, LogSw

-4.19

Polar Surface Area

44.953

Acid Dissociation Constant (pKa)

23.28

Base Dissociation Constant (pKb)

0.15

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

55.60

3966-1115 in Drug Discovery

Included in Screening Libraries

Akt-Targeted Library (14764 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with 3966-1115 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3966-1115?
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What is the minimum amount of 3966-1115 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3966-1115
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3966-1115
  • 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 3966-1115 available by request