P857-0128 Screening compound: [1-methyl-4-(4-methylpiperidino)-1H-pyrazolo[3,4-d]pyrimidin-6-yl](4-methylpiperazino)methanone

P857-0128 Screening compound: [1-methyl-4-(4-methylpiperidino)-1H-pyrazolo[3,4-d]pyrimidin-6-yl](4-methylpiperazino)methanone
P857-0128 Screening compound: [1-methyl-4-(4-methylpiperidino)-1H-pyrazolo[3,4-d]pyrimidin-6-yl](4-methylpiperazino)methanone alternative view

Chemical Structure Depiction of ChemDiv screening compound P857-0128
[1-methyl-4-(4-methylpiperidino)-1H-pyrazolo[3,4-d]pyrimidin-6-yl](4-methylpiperazino)methanone

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

P857-0128

Molecular Formula

C18H27N7O (C18 H27 N7 O)

Compound Name

[1-methyl-4-(4-methylpiperidino)-1H-pyrazolo[3,4-d]pyrimidin-6-yl](4-methylpiperazino)methanone

IUPAC name

1-methyl-4-[1-methyl-4-(4-methylpiperidin-1-yl)-1H-pyrazolo[34-d]pyrimidine-6-carbonyl]piperazine

SMILES

CC(CC1)CCN1c1c(cnn2C)c2nc(C(N2CCN(C)CC2)=O)n1

InChI

InChI=1S/C18H27N7O/c1-13-4-6-24(7-5-13)17-14-12-19-23(3)16(14)20-15(21-17)18(26)25-10-8-22(2)9-11-25/h12-13H,4-11H2,1-3H3

InChI Key

CAOAAPAUAZQYBV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD29026137

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

357.46

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

1.650

Distribution Coefficient, logD

1.517

Water Solubility, LogSw

-1.68

Polar Surface Area

57.168

Acid Dissociation Constant (pKa)

20.72

Base Dissociation Constant (pKb)

6.96

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

66.67

P857-0128 in Drug Discovery

Included in Screening Libraries

GPCR Targeted Library (31838 compounds)

SmartTM Library (51161 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with P857-0128 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P857-0128?
Check Price and Availability of P857-0128, 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 P857-0128 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P857-0128
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P857-0128
  • 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 P857-0128 available by request