P431-1752 Screening compound: N-{1-[5-(pyrrolidin-1-yl)pyrimidin-2-yl]-1H-pyrazol-4-yl}-5,6,7,8-tetrahydronaphthalene-2-sulfonamide

P431-1752 Screening compound: N-{1-[5-(pyrrolidin-1-yl)pyrimidin-2-yl]-1H-pyrazol-4-yl}-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
P431-1752 Screening compound: N-{1-[5-(pyrrolidin-1-yl)pyrimidin-2-yl]-1H-pyrazol-4-yl}-5,6,7,8-tetrahydronaphthalene-2-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound P431-1752
N-{1-[5-(pyrrolidin-1-yl)pyrimidin-2-yl]-1H-pyrazol-4-yl}-5,6,7,8-tetrahydronaphthalene-2-sulfonamide

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

P431-1752

Molecular Formula

C21H24N6O2S (C21 H24 N6 O2 S)

Compound Name

N-{1-[5-(pyrrolidin-1-yl)pyrimidin-2-yl]-1H-pyrazol-4-yl}-5,6,7,8-tetrahydronaphthalene-2-sulfonamide

IUPAC name

N-{1-[5-(pyrrolidin-1-yl)pyrimidin-2-yl]-1H-pyrazol-4-yl}-5678-tetrahydronaphthalene-2-sulfonamide

SMILES

O=S(c1cc(CCCC2)c2cc1)(Nc1cn(-c(nc2)ncc2N2CCCC2)nc1)=O

InChI

InChI=1S/C21H24N6O2S/c28-30(29,20-8-7-16-5-1-2-6-17(16)11-20)25-18-12-24-27(15-18)21-22-13-19(14-23-21)26-9-3-4-10-26/h7-8,11-15,25H,1-6,9-10H2

InChI Key

JXJIQHBARAJFPV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27574571

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

424.53

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.258

Distribution Coefficient, logD

3.111

Water Solubility, LogSw

-3.43

Polar Surface Area

77.526

Acid Dissociation Constant (pKa)

7.80

Base Dissociation Constant (pKb)

4.13

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

38.10

P431-1752 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Antiviral Library (67538 compounds)

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

PI3K-Targeted Library (17255 compounds)

Protein Arginine Methyltransferases Library (27925 compounds)

SmartTM Library (51161 compounds)

Targeted Diversity Library (40567 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Metabolic
Targets:
  • Kinases
  • Others
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with P431-1752 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P431-1752?
Check Price and Availability of P431-1752, 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 P431-1752 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P431-1752
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P431-1752
  • 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 P431-1752 available by request