5205-0002 Screening compound: 2-({4-cyanobenzo[b]1,6-naphthyridin-3-yl}sulfanyl)-N-phenylacetamide

5205-0002 Screening compound: 2-({4-cyanobenzo[b]1,6-naphthyridin-3-yl}sulfanyl)-N-phenylacetamide
5205-0002 Screening compound: 2-({4-cyanobenzo[b]1,6-naphthyridin-3-yl}sulfanyl)-N-phenylacetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 5205-0002
2-({4-cyanobenzo[b]1,6-naphthyridin-3-yl}sulfanyl)-N-phenylacetamide

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

5205-0002

Molecular Formula

C21H14N4OS (C21 H14 N4 OS)

Compound Name

2-({4-cyanobenzo[b]1,6-naphthyridin-3-yl}sulfanyl)-N-phenylacetamide

IUPAC name

2-({4-cyanobenzo[b]16-naphthyridin-3-yl}sulfanyl)-N-phenylacetamide

SMILES

N#Cc(c1nc2ccccc2cc1cn1)c1SCC(Nc1ccccc1)=O

InChI

InChI=1S/C21H14N4OS/c22-11-17-20-15(10-14-6-4-5-9-18(14)25-20)12-23-21(17)27-13-19(26)24-16-7-2-1-3-8-16/h1-10,12H,13H2,(H,24,26)

InChI Key

JDWIUIBKOKGHFA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03269199

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

370.43

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.095

Distribution Coefficient, logD

4.095

Water Solubility, LogSw

-4.55

Polar Surface Area

58.258

Acid Dissociation Constant (pKa)

12.75

Base Dissociation Constant (pKb)

4.61

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

4.80

5205-0002 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 5205-0002 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5205-0002?
Check Price and Availability of 5205-0002, 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 5205-0002 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5205-0002
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5205-0002
  • 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 5205-0002 available by request