5556-0481 Screening compound: N-(2-chloropyridin-3-yl)-9H-xanthene-9-carboxamide

5556-0481 Screening compound: N-(2-chloropyridin-3-yl)-9H-xanthene-9-carboxamide
5556-0481 Screening compound: N-(2-chloropyridin-3-yl)-9H-xanthene-9-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 5556-0481
N-(2-chloropyridin-3-yl)-9H-xanthene-9-carboxamide

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

5556-0481

Molecular Formula

C19H13ClN2O2 (C19 H13 ClN2 O2)

Compound Name

N-(2-chloropyridin-3-yl)-9H-xanthene-9-carboxamide

IUPAC name

N-(2-chloropyridin-3-yl)-9H-xanthene-9-carboxamide

SMILES

O=C(C1c(cccc2)c2Oc2c1cccc2)Nc1cccnc1Cl

InChI

InChI=1S/C19H13ClN2O2/c20-18-14(8-5-11-21-18)22-19(23)17-12-6-1-3-9-15(12)24-16-10-4-2-7-13(16)17/h1-11,17H,(H,22,23)

InChI Key

KNMWVEZKOYZTHO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03398056

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

336.78

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

3.671

Distribution Coefficient, logD

-4.377

Water Solubility, LogSw

-4.20

Polar Surface Area

39.131

Acid Dissociation Constant (pKa)

7.25

Base Dissociation Constant (pKb)

-0.27

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

5.30

5556-0481 in Drug Discovery

Included in Screening Libraries

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

Eccentric PPI Library (11937 compounds)

Human GPCR Annotated Library (5539 compounds)

Protein-Protein Interaction Library (218420 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Cyclic compounds

References: we are preparing a list of scientific research reports with 5556-0481 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5556-0481?
Check Price and Availability of 5556-0481, 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 5556-0481 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5556-0481
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5556-0481
  • 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 5556-0481 available by request