M670-0913 Screening compound: 3-{4-[1-(4-fluorophenyl)-1H-pyrazol-4-yl]piperidine-1-carbonyl}benzonitrile

M670-0913 Screening compound: 3-{4-[1-(4-fluorophenyl)-1H-pyrazol-4-yl]piperidine-1-carbonyl}benzonitrile
M670-0913 Screening compound: 3-{4-[1-(4-fluorophenyl)-1H-pyrazol-4-yl]piperidine-1-carbonyl}benzonitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound M670-0913
3-{4-[1-(4-fluorophenyl)-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

M670-0913

Molecular Formula

C22H19FN4O (C22 H19 FN4 O)

Compound Name

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

IUPAC name

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

SMILES

N#Cc1cccc(C(N(CC2)CCC2c2cn(-c(cc3)ccc3F)nc2)=O)c1

InChI

InChI=1S/C22H19FN4O/c23-20-4-6-21(7-5-20)27-15-19(14-25-27)17-8-10-26(11-9-17)22(28)18-3-1-2-16(12-18)13-24/h1-7,12,14-15,17H,8-11H2

InChI Key

NTRXYXLYVQCQEN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27550403

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

374.42

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

3.217

Distribution Coefficient, logD

3.217

Water Solubility, LogSw

-3.07

Polar Surface Area

48.029

Acid Dissociation Constant (pKa)

21.47

Base Dissociation Constant (pKb)

1.64

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

22.70

M670-0913 in Drug Discovery

Included in Screening Libraries

KRAS-Targeted Library (16000 compounds)

Protein-Protein Interaction Library (218420 compounds)

SmartTM Library (51161 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
Targets:
  • Kinases
Mechanism of action:
  • PPI modulators
Structure:
  • Cyclic compounds

References: we are preparing a list of scientific research reports with M670-0913 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound M670-0913?
Check Price and Availability of M670-0913, 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 M670-0913 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for M670-0913
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for M670-0913
  • 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 M670-0913 available by request