P431-0198 Screening compound: N-{1-[5-(pyrrolidin-1-yl)pyrimidin-2-yl]-1H-pyrazol-4-yl}-2-(thiophen-3-yl)acetamide

P431-0198 Screening compound: N-{1-[5-(pyrrolidin-1-yl)pyrimidin-2-yl]-1H-pyrazol-4-yl}-2-(thiophen-3-yl)acetamide
P431-0198 Screening compound: N-{1-[5-(pyrrolidin-1-yl)pyrimidin-2-yl]-1H-pyrazol-4-yl}-2-(thiophen-3-yl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound P431-0198
N-{1-[5-(pyrrolidin-1-yl)pyrimidin-2-yl]-1H-pyrazol-4-yl}-2-(thiophen-3-yl)acetamide

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

P431-0198

Molecular Formula

C17H18N6OS (C17 H18 N6 OS)

Compound Name

N-{1-[5-(pyrrolidin-1-yl)pyrimidin-2-yl]-1H-pyrazol-4-yl}-2-(thiophen-3-yl)acetamide

IUPAC name

N-{1-[5-(pyrrolidin-1-yl)pyrimidin-2-yl]-1H-pyrazol-4-yl}-2-(thiophen-3-yl)acetamide

SMILES

O=C(Cc1cscc1)Nc1cn(-c(nc2)ncc2N2CCCC2)nc1

InChI

InChI=1S/C17H18N6OS/c24-16(7-13-3-6-25-12-13)21-14-8-20-23(11-14)17-18-9-15(10-19-17)22-4-1-2-5-22/h3,6,8-12H,1-2,4-5,7H2,(H,21,24)

InChI Key

MXVNWGLWDCCMBH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27574428

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

354.44

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.793

Distribution Coefficient, logD

1.793

Water Solubility, LogSw

-2.39

Polar Surface Area

60.852

Acid Dissociation Constant (pKa)

11.27

Base Dissociation Constant (pKb)

3.68

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

29.40

P431-0198 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

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

Protein Arginine Methyltransferases Library (27925 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • 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 P431-0198 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P431-0198?
Check Price and Availability of P431-0198, 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 P431-0198 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P431-0198
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P431-0198
  • 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 P431-0198 available by request