4478-4841 Screening compound: 2-{[3-cyano-6-(naphthalen-2-yl)-4-(thiophen-2-yl)pyridin-2-yl]sulfanyl}acetamide

4478-4841 Screening compound: 2-{[3-cyano-6-(naphthalen-2-yl)-4-(thiophen-2-yl)pyridin-2-yl]sulfanyl}acetamide
4478-4841 Screening compound: 2-{[3-cyano-6-(naphthalen-2-yl)-4-(thiophen-2-yl)pyridin-2-yl]sulfanyl}acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 4478-4841
2-{[3-cyano-6-(naphthalen-2-yl)-4-(thiophen-2-yl)pyridin-2-yl]sulfanyl}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

4478-4841

Molecular Formula

C22H15N3OS2 (C22 H15 N3 OS2)

Compound Name

2-{[3-cyano-6-(naphthalen-2-yl)-4-(thiophen-2-yl)pyridin-2-yl]sulfanyl}acetamide

IUPAC name

2-{[3-cyano-6-(naphthalen-2-yl)-4-(thiophen-2-yl)pyridin-2-yl]sulfanyl}acetamide

SMILES

NC(CSc1nc(-c2cc3ccccc3cc2)cc(-c2cccs2)c1C#N)=O

InChI

InChI=1S/C22H15N3OS2/c23-12-18-17(20-6-3-9-27-20)11-19(25-22(18)28-13-21(24)26)16-8-7-14-4-1-2-5-15(14)10-16/h1-11H,13H2,(H2,24,26)

InChI Key

SDMRFZOHDRLFSA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02038566

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

401.51

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

5.376

Distribution Coefficient, logD

5.376

Water Solubility, LogSw

-6.47

Polar Surface Area

59.633

Acid Dissociation Constant (pKa)

15.59

Base Dissociation Constant (pKb)

0.58

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

4.50

4478-4841 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 4478-4841 chemical compound. It will be published here after verification.

Frequently Asked Questions

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What is the minimum amount of 4478-4841 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4478-4841
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4478-4841
  • 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 4478-4841 available by request