4850-0277 Screening compound: 6-{[(3,4-dichlorophenyl)methyl]sulfanyl}-3,3-dimethyl-8-(morpholin-4-yl)-1H,3H,4H-pyrano[3,4-c]pyridine-5-carbonitrile

4850-0277 Screening compound: 6-{[(3,4-dichlorophenyl)methyl]sulfanyl}-3,3-dimethyl-8-(morpholin-4-yl)-1H,3H,4H-pyrano[3,4-c]pyridine-5-carbonitrile
4850-0277 Screening compound: 6-{[(3,4-dichlorophenyl)methyl]sulfanyl}-3,3-dimethyl-8-(morpholin-4-yl)-1H,3H,4H-pyrano[3,4-c]pyridine-5-carbonitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound 4850-0277
6-{[(3,4-dichlorophenyl)methyl]sulfanyl}-3,3-dimethyl-8-(morpholin-4-yl)-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

4850-0277

Molecular Formula

C22H23Cl2N3O2S (C22 H23 Cl2 N3 O2 S)

Compound Name

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

IUPAC name

6-{[(34-dichlorophenyl)methyl]sulfanyl}-33-dimethyl-8-(morpholin-4-yl)-1H3H4H-pyrano[34-c]pyridine-5-carbonitrile

SMILES

CC(C)(Cc1c2C#N)OCc1c(N1CCOCC1)nc2SCc(cc1)cc(Cl)c1Cl

InChI

InChI=1S/C22H23Cl2N3O2S/c1-22(2)10-15-16(11-25)21(30-13-14-3-4-18(23)19(24)9-14)26-20(17(15)12-29-22)27-5-7-28-8-6-27/h3-4,9H,5-8,10,12-13H2,1-2H3

InChI Key

HDRPUNVOYAWIPB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01560483

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

464.42

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

6.022

Distribution Coefficient, logD

6.022

Water Solubility, LogSw

-6.38

Polar Surface Area

44.682

Acid Dissociation Constant (pKa)

23.28

Base Dissociation Constant (pKb)

0.88

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

45.50

4850-0277 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with 4850-0277 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4850-0277?
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What is the minimum amount of 4850-0277 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4850-0277
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4850-0277
  • 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 4850-0277 available by request