3010-2033 Screening compound: N-(2-methylphenyl)-9H-xanthene-9-carboxamide

3010-2033 Screening compound: N-(2-methylphenyl)-9H-xanthene-9-carboxamide
3010-2033 Screening compound: N-(2-methylphenyl)-9H-xanthene-9-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 3010-2033
N-(2-methylphenyl)-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

3010-2033

Molecular Formula

C21H17NO2 (C21 H17 NO2)

Compound Name

N-(2-methylphenyl)-9H-xanthene-9-carboxamide

IUPAC name

N-(2-methylphenyl)-9H-xanthene-9-carboxamide

SMILES

Cc(cccc1)c1NC(C1c(cccc2)c2Oc2c1cccc2)=O

InChI

InChI=1S/C21H17NO2/c1-14-8-2-5-11-17(14)22-21(23)20-15-9-3-6-12-18(15)24-19-13-7-4-10-16(19)20/h2-13,20H,1H3,(H,22,23)

InChI Key

JKFAMTPOFUYCDT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00249728

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

315.37

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

4.228

Distribution Coefficient, logD

-3.073

Water Solubility, LogSw

-4.60

Polar Surface Area

29.445

Acid Dissociation Constant (pKa)

-3.68

Base Dissociation Constant (pKb)

1.65

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

9.50

3010-2033 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

CNS Targets (44014 compounds)

Dark Chemical Matter Library (18430 compounds)

Protein-Protein Interaction Library (218420 compounds)

Selective Target Activity Profiling Library (14702 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Chemokine Receptor-Targeted Library (18382 compounds)

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

Included in 1.7M Stock Database

Structure:
  • 3D
  • Pool
Therapeutical areas:
  • Nervous system
  • Immune system
Mechanism of action:
  • PPI modulators
  • Receptor's ligands

References: we are preparing a list of scientific research reports with 3010-2033 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3010-2033?
Check Price and Availability of 3010-2033, 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 3010-2033 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3010-2033
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3010-2033
  • 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 3010-2033 available by request