K402-0691 Screening compound: 1-(4-nitrophenyl)-4-{1-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl}piperazine

K402-0691 Screening compound: 1-(4-nitrophenyl)-4-{1-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl}piperazine
K402-0691 Screening compound: 1-(4-nitrophenyl)-4-{1-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl}piperazine alternative view

Chemical Structure Depiction of ChemDiv screening compound K402-0691
1-(4-nitrophenyl)-4-{1-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl}piperazine

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

K402-0691

Molecular Formula

C21H19N7O2 (C21 H19 N7 O2)

Compound Name

1-(4-nitrophenyl)-4-{1-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl}piperazine

IUPAC name

1-(4-nitrophenyl)-4-{1-phenyl-1H-pyrazolo[34-d]pyrimidin-4-yl}piperazine

SMILES

[O-][N+](c(cc1)ccc1N(CC1)CCN1c1ncnc2c1cnn2-c1ccccc1)=O

InChI

InChI=1S/C21H19N7O2/c29-28(30)18-8-6-16(7-9-18)25-10-12-26(13-11-25)20-19-14-24-27(21(19)23-15-22-20)17-4-2-1-3-5-17/h1-9,14-15H,10-13H2

InChI Key

FQARSGQIPUOFRP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02651956

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

401.43

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

4.319

Distribution Coefficient, logD

4.318

Water Solubility, LogSw

-4.25

Polar Surface Area

74.503

Acid Dissociation Constant (pKa)

21.21

Base Dissociation Constant (pKb)

4.91

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

19.00

K402-0691 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with K402-0691 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K402-0691?
Check Price and Availability of K402-0691, 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 K402-0691 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K402-0691
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K402-0691
  • 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 K402-0691 available by request