8004-4904 Screening compound: 2-chloro-5-(methylsulfanyl)-N-(pyridin-3-yl)benzamide

8004-4904 Screening compound: 2-chloro-5-(methylsulfanyl)-N-(pyridin-3-yl)benzamide
8004-4904 Screening compound: 2-chloro-5-(methylsulfanyl)-N-(pyridin-3-yl)benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8004-4904
2-chloro-5-(methylsulfanyl)-N-(pyridin-3-yl)benzamide

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

8004-4904

Molecular Formula

C13H11ClN2OS (C13 H11 ClN2 OS)

Compound Name

2-chloro-5-(methylsulfanyl)-N-(pyridin-3-yl)benzamide

IUPAC name

2-chloro-5-(methylsulfanyl)-N-(pyridin-3-yl)benzamide

SMILES

CSc(cc1)cc(C(Nc2cnccc2)=O)c1Cl

InChI

InChI=1S/C13H11ClN2OS/c1-18-10-4-5-12(14)11(7-10)13(17)16-9-3-2-6-15-8-9/h2-8H,1H3,(H,16,17)

InChI Key

GPMRQKSOROHFFJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00469841

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

278.76

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

3.121

Distribution Coefficient, logD

3.120

Water Solubility, LogSw

-3.82

Polar Surface Area

32.847

Acid Dissociation Constant (pKa)

10.46

Base Dissociation Constant (pKb)

3.59

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

7.70

8004-4904 in Drug Discovery

Included in Screening Libraries

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with 8004-4904 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8004-4904?
Check Price and Availability of 8004-4904, 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 8004-4904 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8004-4904
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8004-4904
  • 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 8004-4904 available by request