P431-0796 Screening compound: N-{1-[5-(thiomorpholin-4-yl)pyrimidin-2-yl]-1H-pyrazol-4-yl}thiophene-3-carboxamide

P431-0796 Screening compound: N-{1-[5-(thiomorpholin-4-yl)pyrimidin-2-yl]-1H-pyrazol-4-yl}thiophene-3-carboxamide
P431-0796 Screening compound: N-{1-[5-(thiomorpholin-4-yl)pyrimidin-2-yl]-1H-pyrazol-4-yl}thiophene-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound P431-0796
N-{1-[5-(thiomorpholin-4-yl)pyrimidin-2-yl]-1H-pyrazol-4-yl}thiophene-3-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

P431-0796

Molecular Formula

C16H16N6OS2 (C16 H16 N6 OS2)

Compound Name

N-{1-[5-(thiomorpholin-4-yl)pyrimidin-2-yl]-1H-pyrazol-4-yl}thiophene-3-carboxamide

IUPAC name

N-{1-[5-(thiomorpholin-4-yl)pyrimidin-2-yl]-1H-pyrazol-4-yl}thiophene-3-carboxamide

SMILES

O=C(c1cscc1)Nc1cn(-c(nc2)ncc2N2CCSCC2)nc1

InChI

InChI=1S/C16H16N6OS2/c23-15(12-1-4-25-11-12)20-13-7-19-22(10-13)16-17-8-14(9-18-16)21-2-5-24-6-3-21/h1,4,7-11H,2-3,5-6H2,(H,20,23)

InChI Key

LBXDXYXVIIIJNK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27574515

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

372.47

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

1.464

Distribution Coefficient, logD

1.463

Water Solubility, LogSw

-2.33

Polar Surface Area

60.700

Acid Dissociation Constant (pKa)

11.18

Base Dissociation Constant (pKb)

3.26

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

P431-0796 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

GPCR Targeted Library (31838 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with P431-0796 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P431-0796?
Check Price and Availability of P431-0796, 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 P431-0796 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P431-0796
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P431-0796
  • 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 P431-0796 available by request