3966-1144 Screening compound: ethyl 2-{[5-cyano-3,3-dimethyl-8-(morpholin-4-yl)-1H,3H,4H-pyrano[3,4-c]pyridin-6-yl]sulfanyl}acetate

3966-1144 Screening compound: ethyl 2-{[5-cyano-3,3-dimethyl-8-(morpholin-4-yl)-1H,3H,4H-pyrano[3,4-c]pyridin-6-yl]sulfanyl}acetate
3966-1144 Screening compound: ethyl 2-{[5-cyano-3,3-dimethyl-8-(morpholin-4-yl)-1H,3H,4H-pyrano[3,4-c]pyridin-6-yl]sulfanyl}acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound 3966-1144
ethyl 2-{[5-cyano-3,3-dimethyl-8-(morpholin-4-yl)-1H,3H,4H-pyrano[3,4-c]pyridin-6-yl]sulfanyl}acetate

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

3966-1144

Molecular Formula

C19H25N3O4S (C19 H25 N3 O4 S)

Compound Name

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

IUPAC name

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

SMILES

CCOC(CSc1nc(N2CCOCC2)c(COC(C)(C)C2)c2c1C#N)=O

InChI

InChI=1S/C19H25N3O4S/c1-4-25-16(23)12-27-18-14(10-20)13-9-19(2,3)26-11-15(13)17(21-18)22-5-7-24-8-6-22/h4-9,11-12H2,1-3H3

InChI Key

NGJKOTBRNJWSRV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00698553

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

391.49

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.313

Distribution Coefficient, logD

3.313

Water Solubility, LogSw

-3.47

Polar Surface Area

65.112

Acid Dissociation Constant (pKa)

21.15

Base Dissociation Constant (pKb)

1.68

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

63.20

3966-1144 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Dark Chemical Matter Library (18430 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
  • Pool

References: we are preparing a list of scientific research reports with 3966-1144 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3966-1144?
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What is the minimum amount of 3966-1144 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3966-1144
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3966-1144
  • 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 3966-1144 available by request