4100-3897 Screening compound: ethyl 1-(9H-xanthene-9-carbonyl)piperidine-3-carboxylate

4100-3897 Screening compound: ethyl 1-(9H-xanthene-9-carbonyl)piperidine-3-carboxylate
4100-3897 Screening compound: ethyl 1-(9H-xanthene-9-carbonyl)piperidine-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 4100-3897
ethyl 1-(9H-xanthene-9-carbonyl)piperidine-3-carboxylate

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

4100-3897

Molecular Formula

C22H23NO4 (C22 H23 NO4)

Compound Name

ethyl 1-(9H-xanthene-9-carbonyl)piperidine-3-carboxylate

IUPAC name

ethyl 1-(9H-xanthene-9-carbonyl)piperidine-3-carboxylate

SMILES

CCOC(C(CCC1)CN1C(C1c(cccc2)c2Oc2c1cccc2)=O)=O

InChI

InChI=1S/C22H23NO4/c1-2-26-22(25)15-8-7-13-23(14-15)21(24)20-16-9-3-5-11-18(16)27-19-12-6-4-10-17(19)20/h3-6,9-12,15,20H,2,7-8,13-14H2,1H3/t15-/m0/s1

InChI Key

JENKHIFRXUYYFD-HNNXBMFYSA-N

MDL Number (MFCD)

MFCD02862383

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

365.43

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.412

Distribution Coefficient, logD

-2.361

Water Solubility, LogSw

-3.65

Polar Surface Area

44.387

Acid Dissociation Constant (pKa)

1.63

Base Dissociation Constant (pKb)

3.88

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

36.40

4100-3897 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Anti-Aging Library (44940 compounds)

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

CNS targets activity set (6557 compounds)

DGK Inhibitors Library (10558 compounds)

Human GPCR Annotated Library (5539 compounds)

Protein-Protein Interaction Library (218420 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
Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Metabolic
  • Immune system
  • Cancer
  • Digestive system
  • Hemic and lymphatic
  • Skin
  • Metabolic
  • Immune system
  • Immune system
Mechanism of action:
  • Epigenetic
  • PPI modulators
  • Receptor's ligands
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with 4100-3897 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4100-3897?
Check Price and Availability of 4100-3897, 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 4100-3897 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4100-3897
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4100-3897
  • 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 4100-3897 available by request