3760-0106 Screening compound: 3-fluoro-N-[1-phenyl-4-(piperidine-1-carbonyl)-1H-pyrazol-5-yl]benzamide

3760-0106 Screening compound: 3-fluoro-N-[1-phenyl-4-(piperidine-1-carbonyl)-1H-pyrazol-5-yl]benzamide
3760-0106 Screening compound: 3-fluoro-N-[1-phenyl-4-(piperidine-1-carbonyl)-1H-pyrazol-5-yl]benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 3760-0106
3-fluoro-N-[1-phenyl-4-(piperidine-1-carbonyl)-1H-pyrazol-5-yl]benzamide

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

3760-0106

Molecular Formula

C22H21FN4O2 (C22 H21 FN4 O2)

Compound Name

3-fluoro-N-[1-phenyl-4-(piperidine-1-carbonyl)-1H-pyrazol-5-yl]benzamide

IUPAC name

3-fluoro-N-[1-phenyl-4-(piperidine-1-carbonyl)-1H-pyrazol-5-yl]benzamide

SMILES

O=C(c1c(NC(c2cccc(F)c2)=O)n(-c2ccccc2)nc1)N1CCCCC1

InChI

InChI=1S/C22H21FN4O2/c23-17-9-7-8-16(14-17)21(28)25-20-19(22(29)26-12-5-2-6-13-26)15-24-27(20)18-10-3-1-4-11-18/h1,3-4,7-11,14-15H,2,5-6,12-13H2,(H,25,28)

InChI Key

AHQAGUUQAJANQQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02221263

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

392.43

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.583

Distribution Coefficient, logD

2.901

Water Solubility, LogSw

-3.67

Polar Surface Area

53.715

Acid Dissociation Constant (pKa)

6.82

Base Dissociation Constant (pKb)

-3.13

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

22.70

3760-0106 in Drug Discovery

Included in Screening Libraries

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

Cardiovascular Library (22201 compounds)

Type II Kinase Inhibitors Library (6956 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cardiovascular
  • Digestive system
  • Hemic and lymphatic
  • Endocrine
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with 3760-0106 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3760-0106?
Check Price and Availability of 3760-0106, 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 3760-0106 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3760-0106
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3760-0106
  • 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 3760-0106 available by request