K405-0558 Screening compound: ethyl 1-{5,7-diphenyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl}piperidine-4-carboxylate

K405-0558 Screening compound: ethyl 1-{5,7-diphenyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl}piperidine-4-carboxylate
K405-0558 Screening compound: ethyl 1-{5,7-diphenyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl}piperidine-4-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound K405-0558
ethyl 1-{5,7-diphenyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl}piperidine-4-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

K405-0558

Molecular Formula

C26H26N4O2 (C26 H26 N4 O2)

Compound Name

ethyl 1-{5,7-diphenyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl}piperidine-4-carboxylate

IUPAC name

ethyl 1-{57-diphenyl-7H-pyrrolo[23-d]pyrimidin-4-yl}piperidine-4-carboxylate

SMILES

CCOC(C(CC1)CCN1c1ncnc2c1c(-c1ccccc1)cn2-c1ccccc1)=O

InChI

InChI=1S/C26H26N4O2/c1-2-32-26(31)20-13-15-29(16-14-20)24-23-22(19-9-5-3-6-10-19)17-30(25(23)28-18-27-24)21-11-7-4-8-12-21/h3-12,17-18,20H,2,13-16H2,1H3

InChI Key

PLIVCIDOKMQMMQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04450812

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

426.52

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.442

Distribution Coefficient, logD

5.334

Water Solubility, LogSw

-5.45

Polar Surface Area

46.966

Acid Dissociation Constant (pKa)

20.75

Base Dissociation Constant (pKb)

6.85

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

26.90

K405-0558 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

CNS Targets (44014 compounds)

CNS targets activity set (6557 compounds)

Human GPCR Annotated Library (5539 compounds)

Protein Kinases Inhibitors Library (36801 compounds)

Voltage-Gated Ion Channel-Targeted Library (4740 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

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

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Nervous system
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Nervous system
  • Hemic and lymphatic
  • Cardiovascular
  • Nervous system
Targets:
  • Kinases
  • Ion Channels

References: we are preparing a list of scientific research reports with K405-0558 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K405-0558?
Check Price and Availability of K405-0558, 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 K405-0558 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K405-0558
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K405-0558
  • 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 K405-0558 available by request