M670-0288 Screening compound: 4-{4-[1-(3-methylphenyl)-1H-pyrazol-4-yl]piperidine-1-carbonyl}benzonitrile

M670-0288 Screening compound: 4-{4-[1-(3-methylphenyl)-1H-pyrazol-4-yl]piperidine-1-carbonyl}benzonitrile
M670-0288 Screening compound: 4-{4-[1-(3-methylphenyl)-1H-pyrazol-4-yl]piperidine-1-carbonyl}benzonitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound M670-0288
4-{4-[1-(3-methylphenyl)-1H-pyrazol-4-yl]piperidine-1-carbonyl}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

M670-0288

Molecular Formula

C23H22N4O (C23 H22 N4 O)

Compound Name

4-{4-[1-(3-methylphenyl)-1H-pyrazol-4-yl]piperidine-1-carbonyl}benzonitrile

IUPAC name

4-{4-[1-(3-methylphenyl)-1H-pyrazol-4-yl]piperidine-1-carbonyl}benzonitrile

SMILES

Cc1cccc(-n2ncc(C(CC3)CCN3C(c(cc3)ccc3C#N)=O)c2)c1

InChI

InChI=1S/C23H22N4O/c1-17-3-2-4-22(13-17)27-16-21(15-25-27)19-9-11-26(12-10-19)23(28)20-7-5-18(14-24)6-8-20/h2-8,13,15-16,19H,9-12H2,1H3

InChI Key

VNRLBKOTANTAOM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27550387

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

370.45

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.671

Distribution Coefficient, logD

3.671

Water Solubility, LogSw

-3.64

Polar Surface Area

48.029

Acid Dissociation Constant (pKa)

21.47

Base Dissociation Constant (pKb)

2.55

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

26.10

M670-0288 in Drug Discovery

Included in Screening Libraries

Protein-Protein Interaction Library (218420 compounds)

Anti-HIV1 Library (19540 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
Structure:
  • Cyclic compounds

References: we are preparing a list of scientific research reports with M670-0288 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound M670-0288?
Check Price and Availability of M670-0288, 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 M670-0288 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for M670-0288
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for M670-0288
  • 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 M670-0288 available by request