P857-0863 Screening compound: 1-methyl-N-[3-(propan-2-yl)phenyl]-4-(thiomorpholin-4-yl)-1H-pyrazolo[3,4-d]pyrimidine-6-carboxamide

P857-0863 Screening compound: 1-methyl-N-[3-(propan-2-yl)phenyl]-4-(thiomorpholin-4-yl)-1H-pyrazolo[3,4-d]pyrimidine-6-carboxamide
P857-0863 Screening compound: 1-methyl-N-[3-(propan-2-yl)phenyl]-4-(thiomorpholin-4-yl)-1H-pyrazolo[3,4-d]pyrimidine-6-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound P857-0863
1-methyl-N-[3-(propan-2-yl)phenyl]-4-(thiomorpholin-4-yl)-1H-pyrazolo[3,4-d]pyrimidine-6-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

P857-0863

Molecular Formula

C20H24N6OS (C20 H24 N6 OS)

Compound Name

1-methyl-N-[3-(propan-2-yl)phenyl]-4-(thiomorpholin-4-yl)-1H-pyrazolo[3,4-d]pyrimidine-6-carboxamide

IUPAC name

1-methyl-N-[3-(propan-2-yl)phenyl]-4-(thiomorpholin-4-yl)-1H-pyrazolo[34-d]pyrimidine-6-carboxamide

SMILES

CC(C)c1cccc(NC(c2nc(n(C)nc3)c3c(N3CCSCC3)n2)=O)c1

InChI

InChI=1S/C20H24N6OS/c1-13(2)14-5-4-6-15(11-14)22-20(27)17-23-18-16(12-21-25(18)3)19(24-17)26-7-9-28-10-8-26/h4-6,11-13H,7-10H2,1-3H3,(H,22,27)

InChI Key

ZPWIOTFNFTZXHR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD29025910

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

396.52

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.016

Distribution Coefficient, logD

4.016

Water Solubility, LogSw

-3.93

Polar Surface Area

60.135

Acid Dissociation Constant (pKa)

13.61

Base Dissociation Constant (pKb)

1.73

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

40.00

P857-0863 in Drug Discovery

Included in Screening Libraries

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

Nucleic Acid Ligands (8311 compounds)

SmartTM Library (51161 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Cancer
  • Musculoskeletal
  • Nervous system
  • Hemic and lymphatic
  • Immune system

References: we are preparing a list of scientific research reports with P857-0863 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P857-0863?
Check Price and Availability of P857-0863, 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 P857-0863 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P857-0863
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P857-0863
  • 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 P857-0863 available by request