P431-1161 Screening compound: 3-{1-[5-(dimethylamino)pyrimidin-2-yl]-1H-pyrazol-4-yl}-1-[4-(methylsulfanyl)phenyl]urea

P431-1161 Screening compound: 3-{1-[5-(dimethylamino)pyrimidin-2-yl]-1H-pyrazol-4-yl}-1-[4-(methylsulfanyl)phenyl]urea
P431-1161 Screening compound: 3-{1-[5-(dimethylamino)pyrimidin-2-yl]-1H-pyrazol-4-yl}-1-[4-(methylsulfanyl)phenyl]urea alternative view

Chemical Structure Depiction of ChemDiv screening compound P431-1161
3-{1-[5-(dimethylamino)pyrimidin-2-yl]-1H-pyrazol-4-yl}-1-[4-(methylsulfanyl)phenyl]urea

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

P431-1161

Molecular Formula

C17H19N7OS (C17 H19 N7 OS)

Compound Name

3-{1-[5-(dimethylamino)pyrimidin-2-yl]-1H-pyrazol-4-yl}-1-[4-(methylsulfanyl)phenyl]urea

IUPAC name

3-{1-[5-(dimethylamino)pyrimidin-2-yl]-1H-pyrazol-4-yl}-1-[4-(methylsulfanyl)phenyl]urea

SMILES

CN(C)c1cnc(-n2ncc(NC(Nc(cc3)ccc3SC)=O)c2)nc1

InChI

InChI=1S/C17H19N7OS/c1-23(2)14-9-18-16(19-10-14)24-11-13(8-20-24)22-17(25)21-12-4-6-15(26-3)7-5-12/h4-11H,1-3H3,(H2,21,22,25)

InChI Key

PSFWSYYEUVDZAY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27574543

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

369.45

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.932

Distribution Coefficient, logD

2.932

Water Solubility, LogSw

-3.56

Polar Surface Area

68.245

Acid Dissociation Constant (pKa)

12.62

Base Dissociation Constant (pKb)

3.11

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

17.60

P431-1161 in Drug Discovery

Included in Screening Libraries

Protein Arginine Methyltransferases Library (27925 compounds)

Ion Channels Focused Library (26372 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with P431-1161 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P431-1161?
Check Price and Availability of P431-1161, 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 P431-1161 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P431-1161
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P431-1161
  • 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 P431-1161 available by request