4606-1877 Screening compound: N-(3-butoxypropyl)-9H-xanthene-9-carboxamide

4606-1877 Screening compound: N-(3-butoxypropyl)-9H-xanthene-9-carboxamide
4606-1877 Screening compound: N-(3-butoxypropyl)-9H-xanthene-9-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 4606-1877
N-(3-butoxypropyl)-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

4606-1877

Molecular Formula

C21H25NO3 (C21 H25 NO3)

Compound Name

N-(3-butoxypropyl)-9H-xanthene-9-carboxamide

IUPAC name

N-(3-butoxypropyl)-9H-xanthene-9-carboxamide

SMILES

CCCCOCCCNC(C1c(cccc2)c2Oc2c1cccc2)=O

InChI

InChI=1S/C21H25NO3/c1-2-3-14-24-15-8-13-22-21(23)20-16-9-4-6-11-18(16)25-19-12-7-5-10-17(19)20/h4-7,9-12,20H,2-3,8,13-15H2,1H3,(H,22,23)

InChI Key

HILFERQWKQLJLJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03043017

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

339.43

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

3.727

Distribution Coefficient, logD

-1.997

Water Solubility, LogSw

-4.03

Polar Surface Area

39.850

Acid Dissociation Constant (pKa)

-3.32

Base Dissociation Constant (pKb)

1.78

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

38.10

4606-1877 in Drug Discovery

Included in Screening Libraries

Anti-Aging Library (44940 compounds)

Antiviral Annotated Library (21441 compounds)

CNS targets activity set (6557 compounds)

Dark Chemical Matter Library (18430 compounds)

Human GPCR Annotated Library (5539 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)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Metabolic
  • Immune system
  • Immune system
Mechanism of action:
  • Epigenetic
  • PPI modulators
  • Receptor's ligands
Structure:
  • Pool

References: we are preparing a list of scientific research reports with 4606-1877 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4606-1877?
Check Price and Availability of 4606-1877, 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 4606-1877 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4606-1877
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4606-1877
  • 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 4606-1877 available by request