K402-0588 Screening compound: 1-[1-(4-chlorophenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]-N,N-diethylpiperidine-3-carboxamide

K402-0588 Screening compound: 1-[1-(4-chlorophenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]-N,N-diethylpiperidine-3-carboxamide
K402-0588 Screening compound: 1-[1-(4-chlorophenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]-N,N-diethylpiperidine-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K402-0588
1-[1-(4-chlorophenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]-N,N-diethylpiperidine-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

K402-0588

Molecular Formula

C21H25ClN6O (C21 H25 ClN6 O)

Compound Name

1-[1-(4-chlorophenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]-N,N-diethylpiperidine-3-carboxamide

IUPAC name

1-[1-(4-chlorophenyl)-1H-pyrazolo[34-d]pyrimidin-4-yl]-NN-diethylpiperidine-3-carboxamide

SMILES

CCN(CC)C(C(CCC1)CN1c1c(cnn2-c(cc3)ccc3Cl)c2ncn1)=O

InChI

InChI=1S/C21H25ClN6O/c1-3-26(4-2)21(29)15-6-5-11-27(13-15)19-18-12-25-28(20(18)24-14-23-19)17-9-7-16(22)8-10-17/h7-10,12,14-15H,3-6,11,13H2,1-2H3/t15-/m0/s1

InChI Key

JWMGAPYNWOHIEK-HNNXBMFYSA-N

MDL Number (MFCD)

MFCD03474902

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

412.92

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.902

Distribution Coefficient, logD

3.901

Water Solubility, LogSw

-4.11

Polar Surface Area

53.726

Acid Dissociation Constant (pKa)

20.79

Base Dissociation Constant (pKb)

4.91

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

42.90

K402-0588 in Drug Discovery

Included in Screening Libraries

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

SmartTM Library (51161 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with K402-0588 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K402-0588?
Check Price and Availability of K402-0588, 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 K402-0588 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K402-0588
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K402-0588
  • 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 K402-0588 available by request