K405-0628 Screening compound: 1-[7-(4-methoxyphenyl)-5-phenyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl]-3-methylpiperidine

K405-0628 Screening compound: 1-[7-(4-methoxyphenyl)-5-phenyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl]-3-methylpiperidine
K405-0628 Screening compound: 1-[7-(4-methoxyphenyl)-5-phenyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl]-3-methylpiperidine alternative view

Chemical Structure Depiction of ChemDiv screening compound K405-0628
1-[7-(4-methoxyphenyl)-5-phenyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl]-3-methylpiperidine

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

K405-0628

Molecular Formula

C25H26N4O (C25 H26 N4 O)

Compound Name

1-[7-(4-methoxyphenyl)-5-phenyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl]-3-methylpiperidine

IUPAC name

1-[7-(4-methoxyphenyl)-5-phenyl-7H-pyrrolo[23-d]pyrimidin-4-yl]-3-methylpiperidine

SMILES

CC(CCC1)CN1c1c(c(-c2ccccc2)cn2-c(cc3)ccc3OC)c2ncn1

InChI

InChI=1S/C25H26N4O/c1-18-7-6-14-28(15-18)24-23-22(19-8-4-3-5-9-19)16-29(25(23)27-17-26-24)20-10-12-21(30-2)13-11-20/h3-5,8-13,16-18H,6-7,14-15H2,1-2H3/t18-/m0/s1

InChI Key

AUUUMGOHCATHKD-SFHVURJKSA-N

MDL Number (MFCD)

MFCD04450880

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

398.51

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.724

Distribution Coefficient, logD

5.616

Water Solubility, LogSw

-5.85

Polar Surface Area

33.690

Acid Dissociation Constant (pKa)

22.22

Base Dissociation Constant (pKb)

6.85

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

28.00

K405-0628 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Selective Target Activity Profiling Library (14702 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

References: we are preparing a list of scientific research reports with K405-0628 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K405-0628?
Check Price and Availability of K405-0628, 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 K405-0628 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K405-0628
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K405-0628
  • 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 K405-0628 available by request