3448-7257 Screening compound: 2-({3-cyano-5H,6H,7H,8H,9H-cyclohepta[b]pyridin-2-yl}sulfanyl)-N-(3,4-dichlorophenyl)acetamide

3448-7257 Screening compound: 2-({3-cyano-5H,6H,7H,8H,9H-cyclohepta[b]pyridin-2-yl}sulfanyl)-N-(3,4-dichlorophenyl)acetamide
3448-7257 Screening compound: 2-({3-cyano-5H,6H,7H,8H,9H-cyclohepta[b]pyridin-2-yl}sulfanyl)-N-(3,4-dichlorophenyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 3448-7257
2-({3-cyano-5H,6H,7H,8H,9H-cyclohepta[b]pyridin-2-yl}sulfanyl)-N-(3,4-dichlorophenyl)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

3448-7257

Molecular Formula

C19H17Cl2N3OS (C19 H17 Cl2 N3 OS)

Compound Name

2-({3-cyano-5H,6H,7H,8H,9H-cyclohepta[b]pyridin-2-yl}sulfanyl)-N-(3,4-dichlorophenyl)acetamide

IUPAC name

2-({3-cyano-5H6H7H8H9H-cyclohepta[b]pyridin-2-yl}sulfanyl)-N-(34-dichlorophenyl)acetamide

SMILES

N#Cc1cc(CCCCC2)c2nc1SCC(Nc(cc1)cc(Cl)c1Cl)=O

InChI

InChI=1S/C19H17Cl2N3OS/c20-15-7-6-14(9-16(15)21)23-18(25)11-26-19-13(10-22)8-12-4-2-1-3-5-17(12)24-19/h6-9H,1-5,11H2,(H,23,25)

InChI Key

UKURBAOFWUKQLA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01629806

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

406.33

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

5.879

Distribution Coefficient, logD

5.870

Water Solubility, LogSw

-6.12

Polar Surface Area

50.672

Acid Dissociation Constant (pKa)

9.07

Base Dissociation Constant (pKb)

-0.51

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

31.60

3448-7257 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

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

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Female
  • Congenital
  • Skin
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with 3448-7257 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3448-7257?
Check Price and Availability of 3448-7257, 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 3448-7257 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3448-7257
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3448-7257
  • 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 3448-7257 available by request