P857-1013 Screening compound: 4-{1-methyl-6-[4-(propan-2-yl)piperazine-1-carbonyl]-1H-pyrazolo[3,4-d]pyrimidin-4-yl}thiomorpholine

P857-1013 Screening compound: 4-{1-methyl-6-[4-(propan-2-yl)piperazine-1-carbonyl]-1H-pyrazolo[3,4-d]pyrimidin-4-yl}thiomorpholine
P857-1013 Screening compound: 4-{1-methyl-6-[4-(propan-2-yl)piperazine-1-carbonyl]-1H-pyrazolo[3,4-d]pyrimidin-4-yl}thiomorpholine alternative view

Chemical Structure Depiction of ChemDiv screening compound P857-1013
4-{1-methyl-6-[4-(propan-2-yl)piperazine-1-carbonyl]-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

P857-1013

Molecular Formula

C18H27N7OS (C18 H27 N7 OS)

Compound Name

4-{1-methyl-6-[4-(propan-2-yl)piperazine-1-carbonyl]-1H-pyrazolo[3,4-d]pyrimidin-4-yl}thiomorpholine

IUPAC name

4-{1-methyl-6-[4-(propan-2-yl)piperazine-1-carbonyl]-1H-pyrazolo[34-d]pyrimidin-4-yl}thiomorpholine

SMILES

CC(C)N(CC1)CCN1C(c1nc(n(C)nc2)c2c(N2CCSCC2)n1)=O

InChI

InChI=1S/C18H27N7OS/c1-13(2)23-4-6-25(7-5-23)18(26)15-20-16-14(12-19-22(16)3)17(21-15)24-8-10-27-11-9-24/h12-13H,4-11H2,1-3H3

InChI Key

VZJBQQLFFDJQEO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD29028218

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

389.52

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

1.580

Distribution Coefficient, logD

1.242

Water Solubility, LogSw

-1.89

Polar Surface Area

57.556

Acid Dissociation Constant (pKa)

21.40

Base Dissociation Constant (pKb)

7.47

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

66.70

P857-1013 in Drug Discovery

Included in Screening Libraries

Protein Arginine Methyltransferases Library (27925 compounds)

SmartTM Library (51161 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Metabolic
Targets:
  • Others
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with P857-1013 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P857-1013?
Check Price and Availability of P857-1013, 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 P857-1013 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P857-1013
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P857-1013
  • 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 P857-1013 available by request