8014-9271 Screening compound: 2-[(3-cyano-4,6-dimethylpyridin-2-yl)sulfanyl]-N-[2-(3,4-diethoxyphenyl)ethyl]acetamide

8014-9271 Screening compound: 2-[(3-cyano-4,6-dimethylpyridin-2-yl)sulfanyl]-N-[2-(3,4-diethoxyphenyl)ethyl]acetamide
8014-9271 Screening compound: 2-[(3-cyano-4,6-dimethylpyridin-2-yl)sulfanyl]-N-[2-(3,4-diethoxyphenyl)ethyl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8014-9271
2-[(3-cyano-4,6-dimethylpyridin-2-yl)sulfanyl]-N-[2-(3,4-diethoxyphenyl)ethyl]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

8014-9271

Molecular Formula

C22H27N3O3S (C22 H27 N3 O3 S)

Compound Name

2-[(3-cyano-4,6-dimethylpyridin-2-yl)sulfanyl]-N-[2-(3,4-diethoxyphenyl)ethyl]acetamide

IUPAC name

2-[(3-cyano-46-dimethylpyridin-2-yl)sulfanyl]-N-[2-(34-diethoxyphenyl)ethyl]acetamide

SMILES

CCOc(ccc(CCNC(CSc1nc(C)cc(C)c1C#N)=O)c1)c1OCC

InChI

InChI=1S/C22H27N3O3S/c1-5-27-19-8-7-17(12-20(19)28-6-2)9-10-24-21(26)14-29-22-18(13-23)15(3)11-16(4)25-22/h7-8,11-12H,5-6,9-10,14H2,1-4H3,(H,24,26)

InChI Key

NSSSBSCYISDOID-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03821005

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

413.54

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.623

Distribution Coefficient, logD

2.623

Water Solubility, LogSw

-2.83

Polar Surface Area

64.310

Acid Dissociation Constant (pKa)

14.61

Base Dissociation Constant (pKb)

1.43

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

40.90

8014-9271 in Drug Discovery

Included in Screening Libraries

Immunological Library (6760 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system

References: we are preparing a list of scientific research reports with 8014-9271 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8014-9271?
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What is the minimum amount of 8014-9271 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8014-9271
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8014-9271
  • 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 8014-9271 available by request