5556-0467 Screening compound: 1-(piperidin-1-yl)propan-2-yl 9H-xanthene-9-carboxylate

5556-0467 Screening compound: 1-(piperidin-1-yl)propan-2-yl 9H-xanthene-9-carboxylate
5556-0467 Screening compound: 1-(piperidin-1-yl)propan-2-yl 9H-xanthene-9-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 5556-0467
1-(piperidin-1-yl)propan-2-yl 9H-xanthene-9-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

5556-0467

Molecular Formula

C22H25NO3 (C22 H25 NO3)

Compound Name

1-(piperidin-1-yl)propan-2-yl 9H-xanthene-9-carboxylate

IUPAC name

1-(piperidin-1-yl)propan-2-yl 9H-xanthene-9-carboxylate

SMILES

CC(CN1CCCCC1)OC(C1c(cccc2)c2Oc2c1cccc2)=O

InChI

InChI=1S/C22H25NO3/c1-16(15-23-13-7-2-8-14-23)25-22(24)21-17-9-3-5-11-19(17)26-20-12-6-4-10-18(20)21/h3-6,9-12,16,21H,2,7-8,13-15H2,1H3/t16-/m0/s1

InChI Key

HTGGGQRKDDWKKW-INIZCTEOSA-N

MDL Number (MFCD)

MFCD03677954

Chemical and Physical Properties

Saltdata

HCl

Molecular Weight

351.45

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.000

Distribution Coefficient, logD

4.000

Water Solubility, LogSw

-4.15

Polar Surface Area

31.100

Acid Dissociation Constant (pKa)

2.09

Base Dissociation Constant (pKb)

9.46

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

40.90

5556-0467 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

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

CNS BBB Library (22607 compounds)

DGK Inhibitors Library (10558 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

New Agro Library (44492 compounds)

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

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Nervous system
  • Cancer
  • Digestive system
  • Hemic and lymphatic
  • Skin
  • Metabolic
  • Immune system
Targets:
  • Kinases
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 5556-0467 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5556-0467?
Check Price and Availability of 5556-0467, 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 5556-0467 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5556-0467
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5556-0467
  • 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 5556-0467 available by request