P227-2042 Screening compound: 3-({4-[3-(3-methoxyphenyl)-1H-pyrazol-5-yl]piperidino}sulfonyl)benzonitrile

P227-2042 Screening compound: 3-({4-[3-(3-methoxyphenyl)-1H-pyrazol-5-yl]piperidino}sulfonyl)benzonitrile
P227-2042 Screening compound: 3-({4-[3-(3-methoxyphenyl)-1H-pyrazol-5-yl]piperidino}sulfonyl)benzonitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound P227-2042
3-({4-[3-(3-methoxyphenyl)-1H-pyrazol-5-yl]piperidino}sulfonyl)benzonitrile

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

P227-2042

Molecular Formula

C22H22N4O3S (C22 H22 N4 O3 S)

Compound Name

3-({4-[3-(3-methoxyphenyl)-1H-pyrazol-5-yl]piperidino}sulfonyl)benzonitrile

IUPAC name

n/a

SMILES

COc1cccc(-c2n[nH]c(C(CC3)CCN3S(c3cc(C#N)ccc3)(=O)=O)c2)c1

InChI

InChI=1S/C22H22N4O3S/c1-29-19-6-3-5-18(13-19)22-14-21(24-25-22)17-8-10-26(11-9-17)30(27,28)20-7-2-4-16(12-20)15-23/h2-7,12-14,17H,8-11H2,1H3,(H,24,25)

InChI Key

UBTUIKXULWNZIF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27569991

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

422.51

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.981

Distribution Coefficient, logD

3.981

Water Solubility, LogSw

-4.10

Polar Surface Area

78.768

Acid Dissociation Constant (pKa)

13.91

Base Dissociation Constant (pKb)

3.13

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

27.30

P227-2042 in Drug Discovery

Included in Screening Libraries

PPI Helix Turn 3D-Mimetics Library (71298 compounds)

Protein-Protein Interaction Library (218420 compounds)

Alpha-Helix Mimetics Library (25899 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics
  • Mimetics
  • Cyclic compounds

References: we are preparing a list of scientific research reports with P227-2042 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P227-2042?
Check Price and Availability of P227-2042, 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 P227-2042 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P227-2042
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P227-2042
  • 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 P227-2042 available by request