K405-0671 Screening compound: N,N-diethyl-1-[7-(3-methylphenyl)-5-phenyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl]piperidine-3-carboxamide

K405-0671 Screening compound: N,N-diethyl-1-[7-(3-methylphenyl)-5-phenyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl]piperidine-3-carboxamide
K405-0671 Screening compound: N,N-diethyl-1-[7-(3-methylphenyl)-5-phenyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl]piperidine-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K405-0671
N,N-diethyl-1-[7-(3-methylphenyl)-5-phenyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl]piperidine-3-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

K405-0671

Molecular Formula

C29H33N5O (C29 H33 N5 O)

Compound Name

N,N-diethyl-1-[7-(3-methylphenyl)-5-phenyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl]piperidine-3-carboxamide

IUPAC name

NN-diethyl-1-[7-(3-methylphenyl)-5-phenyl-7H-pyrrolo[23-d]pyrimidin-4-yl]piperidine-3-carboxamide

SMILES

CCN(CC)C(C(CCC1)CN1c1ncnc2c1c(-c1ccccc1)cn2-c1cc(C)ccc1)=O

InChI

InChI=1S/C29H33N5O/c1-4-32(5-2)29(35)23-14-10-16-33(18-23)27-26-25(22-12-7-6-8-13-22)19-34(28(26)31-20-30-27)24-15-9-11-21(3)17-24/h6-9,11-13,15,17,19-20,23H,4-5,10,14,16,18H2,1-3H3/t23-/m0/s1

InChI Key

KXSIXHMOZBWTNN-QHCPKHFHSA-N

MDL Number (MFCD)

MFCD03066028

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

467.61

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.667

Distribution Coefficient, logD

5.255

Water Solubility, LogSw

-5.57

Polar Surface Area

42.078

Acid Dissociation Constant (pKa)

21.74

Base Dissociation Constant (pKb)

7.60

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

34.50

K405-0671 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Antiviral Annotated Library (21441 compounds)

CNS Targets (44014 compounds)

MCL1 Targeted Library (12200 compounds)

Selective Target Activity Profiling Library (14702 compounds)

Akt-Targeted Library (14764 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
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with K405-0671 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K405-0671?
Check Price and Availability of K405-0671, 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 K405-0671 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K405-0671
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K405-0671
  • 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 K405-0671 available by request