P857-1005 Screening compound: 4-{6-[4-(4-fluorophenyl)piperazine-1-carbonyl]-1-methyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl}thiomorpholine

P857-1005 Screening compound: 4-{6-[4-(4-fluorophenyl)piperazine-1-carbonyl]-1-methyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl}thiomorpholine
P857-1005 Screening compound: 4-{6-[4-(4-fluorophenyl)piperazine-1-carbonyl]-1-methyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl}thiomorpholine alternative view

Chemical Structure Depiction of ChemDiv screening compound P857-1005
4-{6-[4-(4-fluorophenyl)piperazine-1-carbonyl]-1-methyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl}thiomorpholine

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

P857-1005

Molecular Formula

C21H24FN7OS (C21 H24 FN7 OS)

Compound Name

4-{6-[4-(4-fluorophenyl)piperazine-1-carbonyl]-1-methyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl}thiomorpholine

IUPAC name

4-{6-[4-(4-fluorophenyl)piperazine-1-carbonyl]-1-methyl-1H-pyrazolo[34-d]pyrimidin-4-yl}thiomorpholine

SMILES

Cn1ncc2c1nc(C(N(CC1)CCN1c(cc1)ccc1F)=O)nc2N1CCSCC1

InChI

InChI=1S/C21H24FN7OS/c1-26-19-17(14-23-26)20(28-10-12-31-13-11-28)25-18(24-19)21(30)29-8-6-27(7-9-29)16-4-2-15(22)3-5-16/h2-5,14H,6-13H2,1H3

InChI Key

IYIRXKQIPJFCDH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD29025938

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

441.53

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.712

Distribution Coefficient, logD

2.712

Water Solubility, LogSw

-2.85

Polar Surface Area

56.952

Acid Dissociation Constant (pKa)

21.40

Base Dissociation Constant (pKb)

2.64

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

42.90

P857-1005 in Drug Discovery

Included in Screening Libraries

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

SmartTM Library (51161 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with P857-1005 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P857-1005?
Check Price and Availability of P857-1005, 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 P857-1005 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P857-1005
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P857-1005
  • 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 P857-1005 available by request