C700-0377 Screening compound: 3-{[2-(pyridin-2-yl)ethyl]sulfanyl}-N-{4-[(pyridin-4-yl)methyl]phenyl}propanamide

C700-0377 Screening compound: 3-{[2-(pyridin-2-yl)ethyl]sulfanyl}-N-{4-[(pyridin-4-yl)methyl]phenyl}propanamide
C700-0377 Screening compound: 3-{[2-(pyridin-2-yl)ethyl]sulfanyl}-N-{4-[(pyridin-4-yl)methyl]phenyl}propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C700-0377
3-{[2-(pyridin-2-yl)ethyl]sulfanyl}-N-{4-[(pyridin-4-yl)methyl]phenyl}propanamide

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

C700-0377

Molecular Formula

C22H23N3OS (C22 H23 N3 OS)

Compound Name

3-{[2-(pyridin-2-yl)ethyl]sulfanyl}-N-{4-[(pyridin-4-yl)methyl]phenyl}propanamide

IUPAC name

3-{[2-(pyridin-2-yl)ethyl]sulfanyl}-N-{4-[(pyridin-4-yl)methyl]phenyl}propanamide

SMILES

O=C(CCSCCc1ncccc1)Nc1ccc(Cc2ccncc2)cc1

InChI

InChI=1S/C22H23N3OS/c26-22(11-16-27-15-10-20-3-1-2-12-24-20)25-21-6-4-18(5-7-21)17-19-8-13-23-14-9-19/h1-9,12-14H,10-11,15-17H2,(H,25,26)

InChI Key

IXXZAOXFAWGEHB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14784748

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

377.51

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

3.126

Distribution Coefficient, logD

3.125

Water Solubility, LogSw

-3.20

Polar Surface Area

41.816

Acid Dissociation Constant (pKa)

12.86

Base Dissociation Constant (pKb)

4.11

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

22.70

C700-0377 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Dark Chemical Matter Library (18430 compounds)

Human Transcription Factors Annotated Library (5098 compounds)

Selective Target Activity Profiling Library (14702 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
  • Pool

References: we are preparing a list of scientific research reports with C700-0377 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C700-0377?
Check Price and Availability of C700-0377, 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 C700-0377 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C700-0377
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C700-0377
  • 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 C700-0377 available by request