4850-0235 Screening compound: 3,3-DIMETHYL-8-MORPHOLINO-6-(PROPYLSULFANYL)-3,4-DIHYDRO-1H-PYRANO[3,4-C]PYRIDIN-5-YL CYANIDE

4850-0235 Screening compound: 3,3-DIMETHYL-8-MORPHOLINO-6-(PROPYLSULFANYL)-3,4-DIHYDRO-1H-PYRANO[3,4-C]PYRIDIN-5-YL CYANIDE
4850-0235 Screening compound: 3,3-DIMETHYL-8-MORPHOLINO-6-(PROPYLSULFANYL)-3,4-DIHYDRO-1H-PYRANO[3,4-C]PYRIDIN-5-YL CYANIDE alternative view

Chemical Structure Depiction of ChemDiv screening compound 4850-0235
3,3-DIMETHYL-8-MORPHOLINO-6-(PROPYLSULFANYL)-3,4-DIHYDRO-1H-PYRANO[3,4-C]PYRIDIN-5-YL CYANIDE

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

4850-0235

Molecular Formula

C18H25N3O2S (C18 H25 N3 O2 S)

Compound Name

3,3-DIMETHYL-8-MORPHOLINO-6-(PROPYLSULFANYL)-3,4-DIHYDRO-1H-PYRANO[3,4-C]PYRIDIN-5-YL CYANIDE

IUPAC name

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

SMILES

CCCSc1nc(N2CCOCC2)c(COC(C)(C)C2)c2c1C#N

InChI

InChI=1S/C18H25N3O2S/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/h4-10,12H2,1-3H3

InChI Key

SCKOWDRIXYLESA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01090821

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

347.48

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

3.983

Distribution Coefficient, logD

3.983

Water Solubility, LogSw

-4.17

Polar Surface Area

44.953

Acid Dissociation Constant (pKa)

23.28

Base Dissociation Constant (pKb)

0.54

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

66.67

4850-0235 in Drug Discovery

Included in Screening Libraries

BRD4 Targeted Library (4534 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Hemic and lymphatic
  • Cardiovascular
  • Metabolic
Targets:
  • Others

References: we are preparing a list of scientific research reports with 4850-0235 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4850-0235?
Check Price and Availability of 4850-0235, 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 4850-0235 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4850-0235
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4850-0235
  • 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 4850-0235 available by request